Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y9PKC9G2DW
EPA CompTox DTXSID2060628

Structure

InChI Key PPHQUIPUBYPZLD-UHFFFAOYSA-N
Smiles CCN(C)c1ccccc1
InChI
InChI=1S/C9H13N/c1-3-10(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N1
Molecular Weight 135.1
AlogP 2.14
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 613-97-8
NORMAN SUSDAT
FDA SRS Y9PKC9G2DW
PubChem 11956
ChemSpider 11462.0