Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9UK81G2OHJ
EPA CompTox DTXSID2059356

Structure

InChI Key WQMAANNAZKNUDL-UHFFFAOYSA-N
Smiles CN(C)CCCl
InChI
InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10Cl1N1
Molecular Weight 107.05
AlogP 0.79
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 107-99-3
NORMAN SUSDAT
FDA SRS 9UK81G2OHJ
PubChem 7901
ChemSpider 7613.0