N-butan-2-ylformamide (CED0309819)

Record Information
Version1.0
Creation Date2026-09-01 07:47:43 UTC
Update Date2026-09-01 07:47:43 UTC
Accession NumberCHEM355505
Identification
Common NameN-butan-2-ylformamide
ClassSmall Molecule
Description
N-butan-2-ylformamide is a chemical compound with the formula C5H11NO. It has an average molecular weight of 101.15 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H11NO
Average Molecular MassNot Available
Monoisotopic Mass101.084 g/mol
CAS Registry Number53798-89-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)NC=O
InChI IdentifierInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)
InChI KeyNRMJMIGWXUCEEW-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
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
2102.0Log mg/kg[1200:3700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)3.34752
All-trans-retinol dehydrogenase [NAD(+)] ADH1B structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH1BP00325HumansPredicted (SEA)0.155698
Alcohol dehydrogenase 1A structureClick to view 3D structureAlcohol dehydrogenase 1AP07327HumansPredicted (SEA)0.155698
Alcohol dehydrogenase 1C structureClick to view 3D structureAlcohol dehydrogenase 1CP00326HumansPredicted (SEA)0.155698
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)11.6774
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)1244.73
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)5682.84
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)2523.33
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)5777.27
Click to view 3D structureDiacylglycerol lipase-alphaQ9Y4D2HumansPredicted (SEA)1964.76
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)56.285
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)5909.85
Click to view 3D structureTumor necrosis factor receptor superfamily member 16Q9Z0W1Mus musculusPredicted (SEA)172.358
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)2290.01
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)2825.15
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)6306.57
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)6574.99
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)6605.19
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)6427.23
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)6399.98
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7075.17
Click to view 3D structureCalpain-1 catalytic subunitP35750Sus scrofaPredicted (SEA)1279.06
SPRY domain-containing SOCS box protein 2 structureClick to view 3D structureSPRY domain-containing SOCS box protein 2Q99619HumansPredicted (SEA)192.988
Click to view 3D structureL-lactate dehydrogenase B chainP16125Mus musculusPredicted (SEA)35.7328
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7567.33
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available