Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII N5X7F32QQW
EPA CompTox DTXSID8067107

Structure

InChI Key GEBXCFHSFLKPFR-UHFFFAOYSA-N
Smiles Cl.NNC(C)(C)CC
InChI
InChI=1/C5H14N2.ClH/c1-4-5(2,3)7-6;/h7H,4,6H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H14N2
Molecular Weight 138.09
AlogP 1.06
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 38.05
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 25544-81-4
NORMAN SUSDAT
FDA SRS N5X7F32QQW
PubChem 117546