2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium (CAS 94166-39-9) — formula C22H21N3O3S, molecular weight 407.5; category organic chemicals.
| CAS Number | 94166-39-9 |
|---|---|
| Molecular Formula | C22H21N3O3S |
| Molecular Weight | 407.5 |
| LogP | 3.2 |
| Category | Organic Chemicals |
2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium is a carbon-based organic compound with CAS registry number 94166-39-9 and molecular formula C22H21N3O3S (molecular weight 407.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94166-39-9
Its molecular formula C22H21N3O3S comprises 22 C, 21 H, 3 N, 3 O, 1 S atoms.
Also known as: 2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium · 2-[(1-甲基-2(1H)-亚喹啉)氨基]-1-(3-磺基丙基)喹啉鎓
Category: organic chemicals
The CAS registry number of 2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium is 94166-39-9.
Molecular formula C22H21N3O3S, molecular weight 407.5.
It is also registered under: 2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium, 2-[(1-甲基-2(1H)-亚喹啉)氨基]-1-(3-磺基丙基)喹啉鎓.
Category: Organic Chemicals.
Independent reference data for 2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium (CAS 94166-39-9), compiled from public chemistry databases.
| CAS 号 | 94166-39-9 |
|---|---|
| PubChem CID | 44146019 |
| 分子式 | C22H21N3O3S |
| IUPAC 名称 | 3-[2-(1-methylquinolin-1-ium-2-yl)iminoquinolin-1-yl]propane-1-sulfonate |
| UNII（FDA） | NS00066181 |
| Molecular Weight | 407.5 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 407.13036271 |
| Monoisotopic Mass | 407.13036271 |
| Topological Polar Surface Area | 85.1 |
| Heavy Atom Count | 29 |
94166-39-9; EINECS 303-335-3; 2-((1-Methyl-2(1H)-quinolylidene)amino)-1-(3-sulphonatopropyl)quinolinium; KOPNOYPGGMNVSV-UHFFFAOYSA-N; DTXSID701127874; NS00066181; 3-{2-[(1-Methylquinolin-2(1H)-ylidene)amino]quinolin-1-ium-1-yl}propane-1-sulfonate; Quinolinium, 2-[(1-methyl-2(1H)-quinolinylidene)amino]-1-(3-sulfopropyl)-, inner salt
2-[(1-甲基-2(1H)-亚喹啉)氨基]-1-(3-磺基丙基)喹啉鎓 · CAS 94166-39-9 · C22H21N3O3S. UNII NS00066181.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.