Record Information
Version1.0
Creation Date2016-05-19 04:40:24 UTC
Update Date2016-11-09 01:15:07 UTC
Accession NumberCHEM014984
Identification
Common NameCyclopropanamine
ClassSmall Molecule
DescriptionA primary aliphatic amine that consists of cyclopropane bearing a single amino substituent.
Contaminant Sources
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
AminocyclopropaneChEBI
Cyclopropylamine acetateMeSH
Cyclopropylamine hydrochlorideMeSH
Cyclopropylamine, 3H-labeledMeSH
Chemical FormulaC3H7N
Average Molecular Mass57.096 g/mol
Monoisotopic Mass57.058 g/mol
CAS Registry Number765-30-0
IUPAC Namecyclopropanamine
Traditional Nameaminocyclopropane
SMILESNC1CC1
InChI IdentifierInChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
InChI KeyHTJDQJBWANPRPF-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility258 g/LALOGPS
logP-0.24ALOGPS
logP-0.16ChemAxon
logS0.66ALOGPS
pKa (Strongest Basic)10.06ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity17.13 m³·mol⁻¹ChemAxon
Polarizability6.86 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4l-9000000000-7e0d85b6d0eda23d8710Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4l-9000000000-766339a475555fd8f9b8Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-4fd73469d1ab245ccfceSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9000000000-2d7877b27c6d3e34d47bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000000000-86105f84cd4b6da573c4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a73-9000000000-1fbe0a4e52cb9ba28be1Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
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 LinkNot Available
Chemspider IDNot Available
ChEBI ID34660
PubChem Compound ID69828
Kegg Compound IDC14150
YMDB IDNot Available
ECMDB IDM2MDB004911
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available