2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium (CAS 63148-85-6) — formula C21H20N2O5S, molecular weight 412.5; category organic chemicals.
| CAS Number | 63148-85-6 |
|---|---|
| Molecular Formula | C21H20N2O5S |
| Molecular Weight | 412.5 |
| LogP | 2.9 |
| Applications | General Manufacturing Information: Benzoxazolium, 2-[4-(acetylphenylamino)-1, 3-butadien-1-yl]-3-ethyl-5-sulfo-, inner salt: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzoxazolium, 2-[4-(acetylphenylamino)-1, 3-butadien-1-yl]-3-ethyl-5-sulfo-, inner salt: ACTIVE.
2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium is a carbon-based organic compound with CAS registry number 63148-85-6 and molecular formula C21H20N2O5S (molecular weight 412.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63148-85-6
Its molecular formula C21H20N2O5S comprises 21 C, 20 H, 2 N, 5 O, 1 S atoms.
Also known as: 2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium · 2-[4-(乙酰基苯氨基)丁-1,3-二烯基]-3-乙基-5-磺基苯并恶唑鎓
Category: organic chemicals
The CAS registry number of 2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium is 63148-85-6.
Molecular formula C21H20N2O5S, molecular weight 412.5.
It is also registered under: 2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium, 2-[4-(乙酰基苯氨基)丁-1,3-二烯基]-3-乙基-5-磺基苯并恶唑鎓.
Recorded applications: General Manufacturing Information: Benzoxazolium, 2-[4-(acetylphenylamino)-1, 3-butadien-1-yl]-3-ethyl-5-sulfo-, inner salt: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium (CAS 63148-85-6), compiled from public chemistry databases.
| CAS 号 | 63148-85-6 |
|---|---|
| PubChem CID | 112590 |
| 分子式 | C21H20N2O5S |
| IUPAC 名称 | 2-[4-(N-acetylanilino)buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate |
| UNII（FDA） | NS00055818 |
| Molecular Weight | 412.5 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 412.10929292 |
| Monoisotopic Mass | 412.10929292 |
| Topological Polar Surface Area | 103 |
| Heavy Atom Count | 29 |
63148-85-6; EINECS 263-937-6; Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-ethyl-5-sulfo-, inner salt; DTXSID8069721; Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-ethyl-5-sulfo-, inner salt; Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-ethyl-5-sulfo-, inner salt; RefChem:118712; DTXCID6043703; Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-ethyl-5-sulfo-, inner salt; 2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium; NQNSPTOSRIHBGE-UHFFFAOYSA-N; DB-216884; NS00055818
2-[4-(乙酰基苯氨基)丁-1,3-二烯基]-3-乙基-5-磺基苯并恶唑鎓 · CAS 63148-85-6 · C21H20N2O5S. UNII NS00055818.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.