2-Cyanoguanidine (CED0024784)

Record Information
Version1.0
Creation Date2016-05-19 03:55:27 UTC
Update Date2026-08-22 09:43:48 UTC
Accession NumberCHEM012425
Identification
Common Name2-Cyanoguanidine
ClassSmall Molecule
Description
2-Cyanoguanidine is an organic nitrogen compound with the formula C2H4N4 and an average molecular weight of 84.08 g/mol. 2-Cyanoguanidine belongs to the guanidines, a subclass of organonitrogen compounds within the organic compounds. In industrial applications, this substance serves as a hardener and a chemical reaction regulator. The compound is found in or released from 55 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with coils, antennas, adjustable resistors, auxiliary devices, and colour television systems, among 19 other items. In household cleaning and consumer products, it is found in soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites. It is also present in building and construction materials, specifically in floors, ceilings, and waterproofing sprays. Environmental presence is documented in aquatic systems and sediments, including freshwater, seawater, surface water, and groundwater. It is further detected in drinking water and water supply sources, such as tap water, bottled water, and desalinated water. Additionally, it is found in wastewater, sanitation, and biosolids, including unspecified wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Exposure to 2-cyanoguanidine can occur through oral, inhalation, and touch routes.
Contaminant Type
  • PMT
Chemical Structure
Synonyms
ValueSource
2-CyanoguanidineChEBI
ACR-H 3636ChEBI
Adeka eh 3636ChEBI
Adeka eh 3636asChEBI
AI3-14632ChEBI
Araldite HT 986ChEBI
Araldite XB 2879bChEBI
Araldite XB 2979bChEBI
Bakelite ve 2560ChEBI
DCDChEBI
DICYChEBI
DicyandiamideChEBI
DicyandiamidoChEBI
DicyandiaminChEBI
DicyanodiamideChEBI
Dyhard 100SChEBI
Epicure dicy 15ChEBI
Epicure dicy 7ChEBI
Guanidine-1-carbonitrileChEBI
N-CyanoguanidineChEBI
Pyroset doChEBI
XB 2879bChEBI
CyanoguanidineMeSH
dicyandiamido SulfateMeSH
1-CyanoguanidineMeSH
Chemical FormulaC2H4N4
Average Molecular Mass84.082 g/mol
Monoisotopic Mass84.044 g/mol
CAS Registry Number461-58-5
IUPAC NameN-cyanoguanidine
Traditional Name2-cyanoguanidine
SMILESNC(=N)NC#N
InChI IdentifierInChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
InChI KeyQGBSISYHAICWAH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassGuanidines
Direct ParentGuanidines
Alternative Parents
Substituents
  • Guanidine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Imine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility11.8 g/LALOGPS
logP-1.3ALOGPS
logP-0.98ChemAxon
logS-0.85ALOGPS
pKa (Strongest Acidic)10.01ChemAxon
pKa (Strongest Basic)5.15ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area85.69 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity31.59 m³·mol⁻¹ChemAxon
Polarizability7.37 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-001l-9000000000-5ee1609522668b53d1cfNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000000-95f15c9c77b9baa8ec9aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-3abe807bdf065e83a8f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-9000000000-35975ec1c14ef2e3692fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001l-9000000000-3b9c119498ee02ce431dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-6b2cdda71392e653a682Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-5d0e4487432fdfa3339eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-36e3aa30c6cc4afb2049Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-4d70f8c4c3fd7c4ef555Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-9000000000-e09b3683d68fcd8c267fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-9000000000-8d5ffe7aa7852cc9ed68Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-9000000000-c0392887438d307240deNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-9000000000-6b1a3f1a849e1dee8a94Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
236.0Log mg/kg[130:420]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
3Irrigation waterAgriculture & land managementNot Available
10InsecticidesAgriculture & land managementNot Available
27Water CoolersAppliances, HVAC & refrigerantsNot Available
43Water heatersAppliances, HVAC & refrigerantsNot Available
50GroundwaterAquatic systems & sedimentsNot Available
51Surface waterAquatic systems & sedimentsNot Available
52SeawaterAquatic systems & sedimentsNot Available
53FreshwaterAquatic systems & sedimentsNot Available
70Stormwater runoffAutomotive & urban infrastructureNot Available
88Waterproofing spraysBuilding & ConstructionNot Available
115Drinking waterDrinking water & water supplyNot Available
116Tap waterDrinking water & water supplyNot Available
117Bottled waterDrinking water & water supplyNot Available
118Desalinated waterDrinking water & water supplyNot Available
181Ballast waterMarine, shipping & aquacultureNot Available
182Bilge waterMarine, shipping & aquacultureNot Available
468Industrial wastewaterWastewater, sanitation & biosolidsNot Available
470Wastewater treatment effluentWastewater, sanitation & biosolidsNot Available
475Mine wastewaterWastewater, sanitation & biosolidsNot Available
477Wastewater, unspecifiedWastewater, sanitation & biosolidsNot Available
495CeilingsBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
509Colour Television SystemsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
526LoudspeakersElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
577Watch ChainsHousehold itemsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
625Racing SportsRecreation & sports surfacesNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Isopentenyl-diphosphate Delta-isomerase structureClick to view 3D structureIsopentenyl-diphosphate Delta-isomeraseQ46822Escherichia coli (strain K12)Predicted (SEA)1.08989
Click to view 3D structureDeoxyhypusine synthaseQ9GSW0Plasmodium falciparumPredicted (SEA)8.01847
Click to view 3D structureDeoxyhypusine synthaseQ6AY53Rattus norvegicusPredicted (SEA)7.62922
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)446.855
Click to view 3D structurePolyamine oxidase 1O64411Zea maysPredicted (SEA)12.3002
Solute carrier family 22 member 3 structureClick to view 3D structureSolute carrier family 22 member 3O75751HumansPredicted (SEA)94.1197
Protein phosphatase 1 regulatory subunit 15A structureClick to view 3D structureProtein phosphatase 1 regulatory subunit 15AO75807HumansPredicted (SEA)51.614
Protein phosphatase 1 regulatory subunit 15B structureClick to view 3D structureProtein phosphatase 1 regulatory subunit 15BQ5SWA1HumansPredicted (SEA)51.614
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)4601.75
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)6472.15
Click to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)1831.09
Nitric oxide synthase 1 structureClick to view 3D structureNitric oxide synthase 1P29475HumansPredicted (SEA)2570.58
Click to view 3D structureNitric oxide synthase 1P29476Rattus norvegicusPredicted (SEA)1619.65
Click to view 3D structureDiamine oxidase [copper-containing]P36633Rattus norvegicusPredicted (SEA)12.6116
Solute carrier family 22 member 1 structureClick to view 3D structureSolute carrier family 22 member 1O15245HumansPredicted (SEA)1663.72
Click to view 3D structureS-adenosylmethionine decarboxylase proenzymeP17708Rattus norvegicusPredicted (SEA)9.9647
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7458.03
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)18.6838
Click to view 3D structureSodium/hydrogen exchanger 2P50482Oryctolagus cuniculusPredicted (SEA)45.3861
Diamine oxidase [copper-containing] structureClick to view 3D structureDiamine oxidase [copper-containing]P19801HumansPredicted (SEA)108.21
Click to view 3D structureGag polyproteinP03373Avian erythroblastosis virus (strain ES4)Predicted (SEA)60.1774
Sodium/hydrogen exchanger 1 structureClick to view 3D structureSodium/hydrogen exchanger 1P19634HumansPredicted (SEA)2676.69
Click to view 3D structurePutative agmatine deiminaseQ8DW17Streptococcus mutans serotype c (strain ATCC 700610 / UA159)Predicted (SEA)24.6004
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)7656.55
Click to view 3D structureAcrosinP08001Sus scrofaPredicted (SEA)361.298
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0251212
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia Link2-Cyanoguanidine
Chemspider ID9611
ChEBI ID147423
PubChem Compound ID10005
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=28764101
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=28946251
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=29202250
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=29751437
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=30083899
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=30527048
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=30658719
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=30715712
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=30724561
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=31589701
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=31635001
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=31854584
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=32105918
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=32109658
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=606712