Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UG8K2LT79Y
EPA CompTox DTXSID50157371

Structure

InChI Key AGNFWIZBEATIAK-UHFFFAOYSA-N
Smiles NCCCCc1ccccc1
InChI
InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 1.97
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13214-66-9
NORMAN SUSDAT
FDA SRS UG8K2LT79Y
PubChem 83242
ChemSpider 75107.0