Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NE25WV9C8S
EPA CompTox DTXSID00228222

Structure

InChI Key HFQMYSHATTXRTC-JTQLQIEISA-N
Smiles C[C@H](N)Cc1ccc(cc1C)N(C)C
InChI
InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2
Molecular Weight 192.16
AlogP 1.95
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.26
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 77518-07-1
NORMAN SUSDAT
FDA SRS NE25WV9C8S