compound introduction
防腐剂，消毒剂；给出的RN指氯化物；结构
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benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium chloride
CAS number：100-95-8 molecular formula：C23H41ClN2O
overview
Specs
| Chinese alias | - | ||
| English alias | Ammonium,benzyl[(dodecylcarbamoyl)methyl]dimethyl-, chloride (8CI); Benzenemethanaminium,N-[2-(dodecylamino)-2-oxoethyl]-N,N-dimethyl-, chloride (9CI); Benzyl[(dodecylcarbamoyl)methyl]dimethylammonium chloride (6CI,7CI); (Dimethylbenzylamino)acetic acid d | ||
| CAS number | 100-95-8 | molecular formula | C23H41ClN2O |
| molecular weight | 397.0 | Exact mass | - |
| PSA | 29.1 | logp | - |
numbering system
| CAS | 100-95-8 |
| UNII | IM6BZ8F57J |
| ChEMBL ID | CHEMBL2106800 |
| PubChem CID | 7535 |
| NCI Thesaurus Code | C83944 |
| DSSTox Substance ID | DTXSID20878647 |
| European Community (EC) Number | 202-904-2 |
| PubChem Reference Collection SID | 500800191 |
| International Nonproprietary Names (INN) | METALKONIUM CHLORIDE |
physicochemical properties
| Complexity | 348 |
| Exact Mass | 396.2907416 |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Molecular Weight | 397.0 |
| Monoisotopic Mass | 396.2907416 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 15 |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 29.1 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
No safety information yet
Production methods and uses
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upstream information
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downstream information
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MSDS
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