Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7R2SB7W3Y7
EPA CompTox DTXSID00233235

Structure

InChI Key MOSVLZUJVNSVIZ-UHFFFAOYSA-N
Smiles Cc1cc(c(N)c(C)c1N)C(C)(C)C
InChI
InChI=1S/C12H20N2/c1-7-6-9(12(3,4)5)11(14)8(2)10(7)13/h6H,13-14H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2
Molecular Weight 192.16
AlogP 2.77
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 52.04
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 84282-24-6
NORMAN SUSDAT
FDA SRS 7R2SB7W3Y7
PubChem 3019829