Isopropylamine (CHEM004007)

Record Information
Version1.0
Creation Date2016-05-19 01:32:06 UTC
Update Date2026-08-22 13:51:43 UTC
Accession NumberCHEM004007
Identification
Common NameIsopropylamine
ClassSmall Molecule
Description
A member of the class of alkylamines that is propane carrying an amino group at position 2.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • OSHA Hazardous Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-AminopropaneChEBI
2-PropanamineChEBI
MonoisopropylamineChEBI
2-PropylamineMeSH
2-Propylamine hydrochlorideMeSH
2-Propylamine sulfiteMeSH
Chemical FormulaC3H9N
Average Molecular Mass59.110 g/mol
Monoisotopic Mass59.073 g/mol
CAS Registry Number75-31-0
IUPAC Namepropan-2-amine
Traditional Nameisopropylamine
SMILESCC(C)N
InChI IdentifierInChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
InChI KeyJJWLVOIRVHMVIS-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 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
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 Solubility205 g/LALOGPS
logP-0.05ALOGPS
logP0.15ChemAxon
logS0.54ALOGPS
pKa (Strongest Basic)10.43ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity19.09 m³·mol⁻¹ChemAxon
Polarizability7.61 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
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
External Links
DrugBank IDNot Available
HMDB IDHMDB0253679
FooDB IDFDB009650
Phenol Explorer IDNot Available
KNApSAcK IDC00050476
BiGG IDNot Available
BioCyc IDISOPROPYLAMINE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkIsopropylamine
Chemspider ID6123
ChEBI ID15739
PubChem Compound IDNot Available
Kegg Compound IDC06748
YMDB IDNot Available
ECMDB IDM2MDB004759
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=23897436
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24365708