4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate (CAS 94022-81-8) — formula C31H63N3O5S, molecular weight 589.9; category organic chemicals.
| CAS Number | 94022-81-8 |
|---|---|
| Molecular Formula | C31H63N3O5S |
| Molecular Weight | 589.9 |
| Category | Organic Chemicals |
4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate is a carbon-based organic compound with CAS registry number 94022-81-8 and molecular formula C31H63N3O5S (molecular weight 589.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94022-81-8
Its molecular formula C31H63N3O5S comprises 31 C, 63 H, 3 N, 5 O, 1 S atoms.
Also known as: 4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate · 4,5-二氢-1-甲基-1-[3-[(1-氧代十二烷基)氨基]丙基]-2-十一烷基-1H-咪唑鎓甲基硫酸盐
Category: organic chemicals
The CAS registry number of 4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate is 94022-81-8.
Molecular formula C31H63N3O5S, molecular weight 589.9.
It is also registered under: 4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate, 4,5-二氢-1-甲基-1-[3-[(1-氧代十二烷基)氨基]丙基]-2-十一烷基-1H-咪唑鎓甲基硫酸盐.
Category: Organic Chemicals.
Independent reference data for 4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate (CAS 94022-81-8), compiled from public chemistry databases.
| CAS 号 | 94022-81-8 |
|---|---|
| PubChem CID | 44148732 |
| 分子式 | C31H63N3O5S |
| IUPAC 名称 | methyl sulfate;N-[3-(1-methyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]dodecanamide |
| UNII（FDA） | NS00065300 |
| Molecular Weight | 589.9 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 24 |
| Exact Mass | 589.44884329 |
| Monoisotopic Mass | 589.44884329 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 40 |
EINECS 301-576-9; 4,5-Dihydro-1-methyl-1-(3-((1-oxododecyl)amino)propyl)-2-undecyl-1H-imidazolium methyl sulphate; 94022-81-8; NS00065300
4,5-二氢-1-甲基-1-[3-[(1-氧代十二烷基)氨基]丙基]-2-十一烷基-1H-咪唑鎓甲基硫酸盐 · CAS 94022-81-8 · C31H63N3O5S. UNII NS00065300.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.