2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate (CAS 84012-51-1) — formula C27H33N3O2, molecular weight 431.6; category organic chemicals.
| CAS Number | 84012-51-1 |
|---|---|
| Molecular Formula | C27H33N3O2 |
| Molecular Weight | 431.6 |
| Category | Organic Chemicals |
2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate is a carbon-based organic compound with CAS registry number 84012-51-1 and molecular formula C27H33N3O2 (molecular weight 431.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84012-51-1
Its molecular formula C27H33N3O2 comprises 27 C, 33 H, 3 N, 2 O atoms.
Also known as: 2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate · 2-[2-[4-[(2-氰乙基)乙氨基]-邻甲苯基]乙烯基]-1,3,3-三甲基-3H-吲哚乙酸酯
Category: organic chemicals
The CAS registry number of 2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate is 84012-51-1.
Molecular formula C27H33N3O2, molecular weight 431.6.
It is also registered under: 2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate, 2-[2-[4-[(2-氰乙基)乙氨基]-邻甲苯基]乙烯基]-1,3,3-三甲基-3H-吲哚乙酸酯.
Category: Organic Chemicals.
Independent reference data for 2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate (CAS 84012-51-1), compiled from public chemistry databases.
| CAS 号 | 84012-51-1 |
|---|---|
| PubChem CID | 44154338 |
| 分子式 | C27H33N3O2 |
| IUPAC 名称 | 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile acetate |
| UNII（FDA） | NS00061046 |
| Molecular Weight | 431.6 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 431.25727730 |
| Monoisotopic Mass | 431.25727730 |
| Topological Polar Surface Area | 70.2 |
| Heavy Atom Count | 32 |
EINECS 281-691-8; 2-(2-(4-((2-Cyanoethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate; 2-[2-[4-[(2-CYANOETHYL)ETHYLAMINO]-O-TOLYL]VINYL]-1,3,3-TRIMETHYL-3H-INDOLIUM ACETATE; RefChem:452815; 281-691-8; 84012-51-1; NS00061046
| GHS 通报统计 | 25% (1 / 4) |
|---|
| GHS 通报统计 | 25% (1 / 4) |
|---|---|
| 已通报的危害声明 | H318 (75%), H412 (75%) |
2-[2-[4-[(2-氰乙基)乙氨基]-邻甲苯基]乙烯基]-1,3,3-三甲基-3H-吲哚乙酸酯 · CAS 84012-51-1 · C27H33N3O2. UNII NS00061046.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.