DIETHYL(2-HYDROXYETHYL) METHYLAMMONIUM ACRYLATE METHYL SULFATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form

Structure

InChI Key QQCJEWBIBSYIIP-UHFFFAOYSA-M
Smiles CC[N+](C)(C)CCOC(=O)C=C.COS(=O)(=O)[O-]
InChI
InChI=1S/C9H18NO2.CH4O4S/c1-5-9(11)12-8-7-10(3,4)6-2;1-5-6(2,3)4/h5H,1,6-8H2,2-4H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21NO6S
Molecular Weight 283.11
AlogP -0.1
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 92.73
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 109180-05-4
NORMAN SUSDAT
PubChem 72941646
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