Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0T17THG562
EPA CompTox DTXSID4029228

Structure

InChI Key RQEOBXYYEPMCPJ-UHFFFAOYSA-N
Smiles CCc1cc(CC)c(N)c(C)c1N
InChI
InChI=1S/C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12/h6H,4-5,12-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18N2
Molecular Weight 178.15
AlogP 2.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.04
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2095-01-4
NORMAN SUSDAT
FDA SRS 0T17THG562
PubChem 74979
ChemSpider 67534.0