Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 363RMR1WER
EPA CompTox DTXSID1061736

Structure

InChI Key HBGGBCVEFUPUNY-UHFFFAOYSA-N
Smiles NC1CCCCCCCCCCC1
InChI
InChI=1S/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H25N1
Molecular Weight 183.2
AlogP 3.62
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 1502-03-0
NORMAN SUSDAT
FDA SRS 363RMR1WER
PubChem 2897
ChemSpider 2794.0