docosyltrimethylammonium methyl sulphate (CAS 81646-13-1) — formula C26H57NO4S, molecular weight 479.8; category organic chemicals.
docosyltrimethylammonium methyl sulphate is a carbon-based organic compound with CAS registry number 81646-13-1 and molecular formula C26H57NO4S (molecular weight 479.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81646-13-1
Its molecular formula C26H57NO4S comprises 26 C, 57 H, 1 N, 4 O, 1 S atoms.
Also known as: docosyltrimethylammonium methyl sulphate · Behentrimonium Methosulfate
Category: organic chemicals
The CAS registry number of docosyltrimethylammonium methyl sulphate is 81646-13-1.
Molecular formula C26H57NO4S, molecular weight 479.8.
It is also registered under: docosyltrimethylammonium methyl sulphate, Behentrimonium Methosulfate.
Category: Organic Chemicals.
Public-database records for docosyltrimethylammonium methyl sulphate (CAS 81646-13-1), reproduced here for independent cross-checking.
| 已通报的危害声明 | H315 (100%), H318 (80.5%), H319 (19.5%), H373 (80.5%), H400 (85.2%), H410 (15.4%), H411 (70.5%) |
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| 法规与食品接触 | CIR / INCI: Cosmetic ingredients (Behentrimonium Methosulfate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Surfactant; Hair conditioning; Antistatic |
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| CAS 号 | 81646-13-1 |
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| PubChem CID | 157846 |
| 分子式 | C26H57NO4S |
| IUPAC 名称 | docosyl(trimethyl)azanium;methyl sulfate |
| UNII（FDA） | 5SHP745C61 |
Behentrimonium methosulfate; Docosyltrimethylammonium methyl sulphate; 5SHP745C61; EINECS 279-791-1; Behenyl trimethyl ammonium methosulfate; DTXSID00231231; BEHENTRIMONIUM METHOSULPHATE; EC 279-791-1; behenyltrimethylammonium methyl sulfate; N,N,N-Trimethyl-1-docosanaminium methosulfate; BEHENYL TRIMETHYL AMMONIUM METHOSULPHATE; 1-Docosanaminium, N,N,N-trimethyl-, methosulfate; RefChem:561202; DTXCID00153722; BEHENTRIMONIUM METHOSULFATE [INCI]; 81646-13-1
| 分子量 | 479.8 |
|---|---|
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 21 |
| 精确质量 | 479.40083047 |
| 单同位素质量 | 479.40083047 |
| 拓扑极性表面积 | 74.8 |
| 重原子数 | 32 |
| 形式电荷 | 0 |
| 复杂度 | 344 |
山嵛基三甲基铵甲基硫酸盐 · CAS 81646-13-1 · C26H57NO4S. UNII 5SHP745C61.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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