Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 56PT61F2XE
EPA CompTox DTXSID8052279

Structure

InChI Key JDEJGVSZUIJWBM-UHFFFAOYSA-N
Smiles CN(C)c1ccccc1C
InChI
InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N1
Molecular Weight 135.1
AlogP 2.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 609-72-3
NORMAN SUSDAT
FDA SRS 56PT61F2XE
PubChem 11869
ChemSpider 11376.0