Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P0Q446WN3F
EPA CompTox DTXSID9051618

Structure

InChI Key CWOMTHDOJCARBY-UHFFFAOYSA-N
Smiles CN(C)c1cccc(C)c1
InChI
InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)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 121-72-2
NORMAN SUSDAT
FDA SRS P0Q446WN3F
PubChem 8488
ChemSpider 8175.0