Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GQ1PZQ6J8I
EPA CompTox DTXSID4070328

Structure

InChI Key MBQBDXBBWYTVSP-UHFFFAOYSA-N
Smiles CC(C)CC(N)CC(C)C
InChI
InChI=1S/C9H21N/c1-7(2)5-9(10)6-8(3)4/h7-9H,5-6,10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1
Molecular Weight 143.17
AlogP 2.41
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 65530-92-9
NORMAN SUSDAT
FDA SRS GQ1PZQ6J8I
PubChem 103410
ChemSpider 93367.0