Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G7TX2UQI1I
EPA CompTox DTXSID70196227

Structure

InChI Key PQZTVWVYCLIIJY-UHFFFAOYSA-N
Smiles CCCN(CC)CC
InChI
InChI=1S/C7H17N/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N1
Molecular Weight 115.14
AlogP 1.74
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4458-31-5
NORMAN SUSDAT
FDA SRS G7TX2UQI1I
PubChem 78206
ChemSpider 70582.0