1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol (CAS 83688-85-1) — formula C16H26ClNO2S, molecular weight 331.9; category organic chemicals.
1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol is a carbon-based organic compound with CAS registry number 83688-85-1 and molecular formula C16H26ClNO2S (molecular weight 331.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83688-85-1
Its molecular formula C16H26ClNO2S comprises 16 C, 26 H, 1 Cl, 1 N, 2 O, 1 S atoms.
Also known as: 1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol
Category: organic chemicals
The CAS registry number of 1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol is 83688-85-1.
Molecular formula C16H26ClNO2S, molecular weight 331.9.
It is also registered under: 1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol.
Category: Organic Chemicals.
Public-database records for 1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol (CAS 83688-85-1), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H361 (100%), H362 (100%), H411 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
| CAS Registry Number | 83688-85-1 |
|---|---|
| PubChem CID | 161777 |
| 分子式 | C16H26ClNO2S |
| IUPAC 名称 | 1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol;hydrochloride |
| UNII(FDA) | 9SDH60Z1NO |
Tertatolol hydrochloride; 33580-30-2; Prenalex; 9SDH60Z1NO; 2-PROPANOL, 1-((3,4-DIHYDRO-2H-1-BENZOTHIOPYRAN-8-YL)OXY)-3-((1,1-DIMETHYLETHYL)AMINO)-, HYDROCHLORIDE (1:1); RefChem:910232; 251-578-8; Artex; Artexal; EINECS 280-520-4; 83688-85-1; 1-(tert-Butylamino)-3-(thiochroman-8-yloxy)propan-2-ol hydrochloride; 1-(tert-Butylamino)-3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propan-2-ol hydrochloride; 1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol;hydrochloride; 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-; Tertatolol HCl
| 分子量 | 331.9 |
|---|---|
| 氢键供体数 | 3 |
| 氢键受体数 | 4 |
| 可旋转键数 | 6 |
| 精确质量 | 331.1372779 |
| 单同位素质量 | 331.1372779 |
| 拓扑极性表面积 | 66.8 |
| 重原子数 | 21 |
| 形式电荷 | 0 |
| 复杂度 | 293 |
1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol · CAS 83688-85-1 · C16H26ClNO2S. UNII 9SDH60Z1NO.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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