(3-CHLORO-2-HYDROXYPROPYL)(2-HYDROXYETHYL)DIMETHYLAMMONIUM CHLORIDE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID401004706

Structure

InChI Key WSEBKJRVPMLGFV-UHFFFAOYSA-M
Smiles [Cl-].ClCC(O)C[N+](C)(C)CCO
InChI
InChI=1/C7H17ClNO2.ClH/c1-9(2,3-4-10)6-7(11)5-8;/h7,10-11H,3-6H2,1-2H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17ClNO2
Molecular Weight 217.06
AlogP -3.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 84434-68-4
NORMAN SUSDAT
PubChem 3019885
CONTENTS