Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4O0O17JZ7D
EPA CompTox DTXSID9044619

Structure

InChI Key SEGJNMCIMOLEDM-UHFFFAOYSA-N
Smiles CCCCCCCCNC
InChI
InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/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 2439-54-5
NORMAN SUSDAT
FDA SRS 4O0O17JZ7D
PubChem 75538
ChemSpider 68063.0