Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID2069608

Structure

InChI Key MBRKSKWYAIWADJ-UHFFFAOYSA-N
Smiles Cl.Cl.NC=1C=CC=CC1N(C)C
InChI
InChI=1/C8H12N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h3-6H,9H2,1-2H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12N2
Molecular Weight 208.05
AlogP 2.18
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.26
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 62654-07-3
NORMAN SUSDAT
PubChem 76083