Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S8LU935UVL
EPA CompTox DTXSID2067036

Structure

InChI Key YGZQKMUEFIDPIB-UHFFFAOYSA-N
Smiles CC(C)N(Cl)C(C)C
InChI
InChI=1S/C6H14ClN/c1-5(2)8(7)6(3)4/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14Cl1N1
Molecular Weight 135.08
AlogP 2.26
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 24948-81-0
NORMAN SUSDAT
FDA SRS S8LU935UVL
PubChem 32745
ChemSpider 30351.0