COMPUTED DESCRIPTORS
| Molecular Weight | 629.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 32 |
| Exact Mass | 629.42678424 g/mol |
| Monoisotopic Mass | 629.42678424 g/mol |
| Topological Polar Surface Area | 175 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | -2 |
| Complexity | 432 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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-52 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)