Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U5JVY38RYB
EPA CompTox DTXSID4065020

Structure

InChI Key VTJDEAHIKIEJET-UHFFFAOYSA-N
Smiles CN(C)C=Nc1c(C)cccc1
InChI
InChI=1S/C10H14N2/c1-9-6-4-5-7-10(9)11-8-12(2)3/h4-8H,1-3H3/b11-8-

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2
Molecular Weight 162.12
AlogP 2.22
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 15.6
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 117750-32-0
NORMAN SUSDAT
FDA SRS U5JVY38RYB
PubChem 25123
ChemSpider 23468.0