Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50206671

Structure

InChI Key OKDQKPLMQBXTNH-UHFFFAOYSA-N
Smiles CN(C)N1CC=CC=C1
InChI
InChI=1S/C7H12N2/c1-8(2)9-6-4-3-5-7-9/h3-6H,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12N2
Molecular Weight 124.1
AlogP 0.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 6.48
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 57951-36-7
NORMAN SUSDAT
PubChem 6453552
ChemSpider 4955923.0