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51812-80-7

51812-80-7 structural image
Product Name: 3-(D-gluconoylamino)propyl(2-hydroxyethyl)dimethylammonium chloride
Formula: C13H29ClN2O7
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COMPUTED DESCRIPTORS

Molecular Weight 360.83 g/mol
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 11
Exact Mass 360.1663290 g/mol
Monoisotopic Mass 360.1663290 g/mol
Topological Polar Surface Area 151 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 328
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Quaternium-22 is a quaternary ammonium salt found in numerous cosmetics. Its toxicity is due to its ability to act as a nitrosating agent, releasing potentially carcinogenic nitrosamines. (L1890)

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