Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3N2IT605HV
EPA CompTox DTXSID8060662

Structure

InChI Key PQPFFKCJENSZKL-UHFFFAOYSA-N
Smiles CCC(N)CC
InChI
InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13N1
Molecular Weight 87.1
AlogP 1.13
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 616-24-0
NORMAN SUSDAT
FDA SRS 3N2IT605HV
PubChem 12019
ChemSpider 11524.0