Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EH8A4NC8F3
EPA CompTox DTXSID30167675

Structure

InChI Key BXCUMAUHMPSRPZ-UHFFFAOYSA-N
Smiles Cc1cc(N)cc(C)c1C
InChI
InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N1
Molecular Weight 135.1
AlogP 2.19
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1639-31-2
NORMAN SUSDAT
FDA SRS EH8A4NC8F3
PubChem 74227
ChemSpider 66834.0