Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID5066112

Structure

InChI Key ILULYDJFTJKQAP-UHFFFAOYSA-N
Smiles Cl.NNC(C)C
InChI
InChI=1/C3H10N2.ClH/c1-3(2)5-4;/h3,5H,4H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H10N2
Molecular Weight 110.06
AlogP 0.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 38.05
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 16726-41-3
NORMAN SUSDAT
PubChem 52789