Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7068180

Structure

InChI Key AMJIVVJFADZSNZ-UHFFFAOYSA-N
Smiles CCCCCNCCCC
InChI
InChI=1S/C9H21N/c1-3-5-7-9-10-8-6-4-2/h10H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1
Molecular Weight 143.17
AlogP 2.57
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 12.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 39536-61-3
NORMAN SUSDAT
PubChem 123483
ChemSpider 110078.0