Keyword(s): Human Metabolites
Molecule Category Free-form
UNII APG5W2B485
EPA CompTox DTXSID1063645

Structure

InChI Key NBFRQCOZERNGEX-UHFFFAOYSA-N
Smiles CN(C)c1cc(C)cc(C)c1
InChI
InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.37
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4913-13-7
NORMAN SUSDAT
FDA SRS APG5W2B485
PubChem 78625
ChemSpider 70982.0