2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate (CAS 72319-18-7) — formula C23H26N3O4S-, molecular weight 440.5; category organic chemicals.
| CAS Number | 72319-18-7 |
|---|---|
| Molecular Formula | C23H26N3O4S- |
| Molecular Weight | 440.5 |
| Category | Organic Chemicals |
2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate is a carbon-based organic compound with CAS registry number 72319-18-7 and molecular formula C23H26N3O4S- (molecular weight 440.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72319-18-7
Its molecular formula C23H26N3O4S- comprises 23 C, 26 H, 3 N, 4 O, 1 S atoms.
Also known as: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate · 2-[2-[4-[(2-氰乙基)甲氨基]苯基]乙烯基]-1,3,3-三甲基-3H-吲哚翁硫酸盐
Category: organic chemicals
The CAS registry number of 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate is 72319-18-7.
Molecular formula C23H26N3O4S-, molecular weight 440.5.
It is also registered under: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate, 2-[2-[4-[(2-氰乙基)甲氨基]苯基]乙烯基]-1,3,3-三甲基-3H-吲哚翁硫酸盐.
Category: Organic Chemicals.
Independent reference data for 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate (CAS 72319-18-7), compiled from public chemistry databases.
| CAS 号 | 72319-18-7 |
|---|---|
| PubChem CID | 6441353 |
| 分子式 | C23H26N3O4S- |
| IUPAC 名称 | 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate |
| UNII（FDA） | NS00090951 |
| Molecular Weight | 440.5 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 440.16440249 |
| Monoisotopic Mass | 440.16440249 |
| Topological Polar Surface Area | 119 |
| Heavy Atom Count | 31 |
2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate; 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate; RefChem:452817; 276-586-9; NS00090951
| GHS 通报统计 | 2.7% (3 / 111) |
|---|
| GHS 通报统计 | 2.7% (3 / 111) |
|---|---|
| 已通报的危害声明 | H290 (97.3%), H302 (97.3%), H315 (97.3%), H318 (97.3%), H411 (97.3%) |
2-[2-[4-[(2-氰乙基)甲氨基]苯基]乙烯基]-1,3,3-三甲基-3H-吲哚翁硫酸盐 · CAS 72319-18-7 · C23H26N3O4S-. UNII NS00090951.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.