Guanidine hydrochloride (CED0001262)

Record Information
Version1.0
Creation Date2016-05-19 03:56:52 UTC
Update Date2026-04-17 17:20:19 UTC
Accession NumberCHEM012498
Identification
Common NameGuanidine hydrochloride
ClassSmall Molecule
Description
Guanidine hydrochloride is an organic compound with the chemical formula CH6ClN3 and an average molecular weight of 95.53 g/mol. Guanidine hydrochloride belongs to the guanidines, a subclass of organonitrogen compounds within the organic compounds. In industrial applications, it is utilized as a pH regulating agent. The compound is associated with 21 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, conductors or conductive bodies characterised by the conductive materials, discharge lamps, electrodes, fixed capacitors and their manufacture, and three additional sources. In the realm of food, food processing and cookware, it is linked to fermentation processes for beer, food preservation, the preparation of malt, the preparation of wine or sparkling wine, the preparation of wort, and three other sources. Additionally, it is present in household cleaning and consumer products, specifically in soap detergents, bleaching agents, perfumes within detergents and soaps, and tobacco smoke filters. Finally, it is recorded in building and construction sources, specifically regarding stairs and ramps.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
GuClChEBI
Guanidine monohydroiodineMeSH
Guanidine sulfate (1:1)MeSH
Guanidine sulfate (2:1)MeSH
Guanidine sulfite (1:1)MeSH
GuanidiniumMeSH
Monohydrochloride, guanidineMeSH
Phosphate, guanidineMeSH
Chloride, guanidiumMeSH
GuanidineMeSH
Guanidine monohydrateMeSH
Guanidine phosphateMeSH
Sulfate, guanidineMeSH
Chloride, guanidiniumMeSH
Guanidine monohydrochlorideMeSH
Guanidine nitrateMeSH
Guanidine sulfateMeSH
Guanidium chlorideMeSH
Hydrochloride, guanidineMeSH
Monohydrate, guanidineMeSH
Monohydrobromide, guanidineMeSH
Guanidine monohydrobromideMeSH
Monohydroiodine, guanidineMeSH
Nitrate, guanidineMeSH
Guanidinium chlorideMeSH
Chemical FormulaCH6ClN3
Average Molecular Mass95.531 g/mol
Monoisotopic Mass95.025 g/mol
CAS Registry Number50-01-1
IUPAC Nameguanidine hydrochloride
Traditional Nameguanidine hydrochloride
SMILESCl.NC(N)=N
InChI IdentifierInChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChI KeyPJJJBBJSCAKJQF-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
  • Carboximidamide
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Hydrochloride
  • Imine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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 Solubility11.5 g/LALOGPS
logP-1.9ALOGPS
logP-1.2ChemAxon
logS-0.71ALOGPS
pKa (Strongest Basic)12.55ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area75.89 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity25.86 m³·mol⁻¹ChemAxon
Polarizability5.57 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-0ec5586ceed333ceca78Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-0ec5586ceed333ceca78Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-0ec5586ceed333ceca78Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-0a74743a2bb645ea61c5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-0a74743a2bb645ea61c5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-0a74743a2bb645ea61c5Not AvailableView Spectrum
MSMS Spectrumsplash10-052f-9000000000-5c4304ad1dc917dc3dabNot 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
179.0Log mg/kg[100:320]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
233BrushesPersonal care & cosmeticsNot Available
500Stairs And RampsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold 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
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
596AcaricidesAgriculture & land managementNot Available
597ChemosterilantsAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal 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
632ApparelTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, 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
Click to view 3D structureDeoxyhypusine synthaseQ9GSW0Plasmodium falciparumPredicted (SEA)13.3122
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)1.55698
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)3967.12
Click to view 3D structureAcrosinP08001Sus scrofaPredicted (SEA)76.6036
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)486.013
Click to view 3D structureDeoxyhypusine synthaseQ6AY53Rattus norvegicusPredicted (SEA)12.5337
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)5159.54
Click to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)2032.18
Solute carrier family 22 member 3 structureClick to view 3D structureSolute carrier family 22 member 3O75751HumansPredicted (SEA)105.641
Suppressor of tumorigenicity 14 protein structureClick to view 3D structureSuppressor of tumorigenicity 14 proteinQ9Y5Y6HumansPredicted (SEA)2341.16
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)3884.99
Isopentenyl-diphosphate Delta-isomerase structureClick to view 3D structureIsopentenyl-diphosphate Delta-isomeraseQ46822Escherichia coli (strain K12)Predicted (SEA)10.2761
Diamine oxidase [copper-containing] structureClick to view 3D structureDiamine oxidase [copper-containing]P19801HumansPredicted (SEA)34.5651
Diamine acetyltransferase 1 structureClick to view 3D structureDiamine acetyltransferase 1P21673HumansPredicted (SEA)36.2777
Click to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)1262.64
Click to view 3D structurePolyamine oxidase 1O64411Zea maysPredicted (SEA)17.9053
Click to view 3D structureS-adenosylmethionine decarboxylase proenzymeP17708Rattus norvegicusPredicted (SEA)9.03051
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7275.4
Click to view 3D structureNitric oxide synthase 1P29476Rattus norvegicusPredicted (SEA)1564.54
Click to view 3D structureProthrombinP00735Bos taurusPredicted (SEA)4106.47
Nitric oxide synthase 1 structureClick to view 3D structureNitric oxide synthase 1P29475HumansPredicted (SEA)2653.72
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)5453.1
Click to view 3D structureGlandular kallikreinP00752Sus scrofaPredicted (SEA)230.356
Click to view 3D structurePutative agmatine deiminaseQ8DW17Streptococcus mutans serotype c (strain ATCC 700610 / UA159)Predicted (SEA)19.6959
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)6266.86
Concentrations
Not Available
External Links
DrugBank IDDBSALT000737
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkGuanidinium chloride
Chemspider IDNot Available
ChEBI ID32735
PubChem Compound ID5742
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References