Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7D4542I59V

Structure

InChI Key AUFSOOYCQYDGES-UHFFFAOYSA-N
Smiles CNCC(C)c1ccccc1
InChI
InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.03
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 93-88-9
NORMAN SUSDAT
FDA SRS 7D4542I59V
PubChem 22276
ChemSpider 21277725.0