Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8XK9CS659M
EPA CompTox DTXSID60172474

Structure

InChI Key RSAFAYLZKCYUQW-UHFFFAOYSA-N
Smiles CC(C)N(C(C)C)C(=O)Cl
InChI
InChI=1S/C7H14ClNO/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14Cl1N1O1
Molecular Weight 163.08
AlogP 2.46
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 19009-39-3
NORMAN SUSDAT
FDA SRS 8XK9CS659M
PubChem 87890
ChemSpider 79293.0