Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9N74L1UD11
EPA CompTox DTXSID9062308

Structure

InChI Key HSDXVAOHEOSTFZ-UHFFFAOYSA-N
Smiles CCCCCc1ccccn1
InChI
InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.81
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2294-76-0
NORMAN SUSDAT
FDA SRS 9N74L1UD11
PubChem 16800
ChemSpider 15924.0