DESMETHYLDOXEPIN (CAS 2887-91-4) — formula C18H20ClNO, molecular weight 301.8; category organic chemicals.
DESMETHYLDOXEPIN is a carbon-based organic compound with CAS registry number 2887-91-4 and molecular formula C18H20ClNO (molecular weight 301.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2887-91-4
Its molecular formula C18H20ClNO comprises 18 C, 20 H, 1 Cl, 1 N, 1 O atoms.
Also known as: DESMETHYLDOXEPIN · nordoxepin hydrochloride
Category: organic chemicals
The CAS registry number of DESMETHYLDOXEPIN is 2887-91-4.
Molecular formula C18H20ClNO, molecular weight 301.8.
It is also registered under: DESMETHYLDOXEPIN, nordoxepin hydrochloride.
Category: Organic Chemicals.
Public-database records for DESMETHYLDOXEPIN (CAS 2887-91-4), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H400 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
| CAS Registry Number | 2887-91-4 |
|---|---|
| PubChem CID | 6433350 |
| 分子式 | C18H20ClNO |
| IUPAC 名称 | (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride |
| UNII(FDA) | ZII8992NO2 |
N-Desmethyldoxepin hydrochloride; 2887-91-4; GB360TK63M; 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride; RefChem:919938; Desmethyldoxepin hydrochloride; Desmethyldoxepin hydrochloride, (Z)-; 124694-02-6; UNII-ZII8992NO2; N-Desmethyl (Z)-Doxepin Hydrochloride; ZII8992NO2; (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride; 1-Propanamine, 3-dibenz(b,E)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride (1:1), (3Z)-; 1-Propanamine, 3-dibenz(b,E)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride, (Z)-; Desmethyldoxepin (hydrochloride); Nordoxepin hydrochloride
| 分子量 | 301.8 |
|---|---|
| 氢键供体数 | 2 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 301.1233420 |
| 单同位素质量 | 301.1233420 |
| 拓扑极性表面积 | 21.3 |
| 重原子数 | 21 |
| 形式电荷 | 0 |
| 复杂度 | 338 |
DESMETHYLDOXEPIN · CAS 2887-91-4 · C18H20ClNO. UNII ZII8992NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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