2-[4-[(Acetyl)phenylamino]-1,3-butadienyl]-3-(3-sulfonatopropyl)benzoxazolium (CAS 71130-58-0) — formula C22H22N2O5S, molecular weight 426.5; category organic chemicals.
| CAS Number | 71130-58-0 |
|---|---|
| Molecular Formula | C22H22N2O5S |
| Molecular Weight | 426.5 |
| LogP | 3 |
| Applications | General Manufacturing Information: Benzoxazolium, 2-[4-(acetylphenylamino)-1, 3-butadien-1-yl]-3-(3-sulfopropyl)-, inner salt: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzoxazolium, 2-[4-(acetylphenylamino)-1, 3-butadien-1-yl]-3-(3-sulfopropyl)-, inner salt: INACTIVE.
2-[4-[(Acetyl)phenylamino]-1,3-butadienyl]-3-(3-sulfonatopropyl)benzoxazolium is a carbon-based organic compound with CAS registry number 71130-58-0 and molecular formula C22H22N2O5S (molecular weight 426.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 71130-58-0
Its molecular formula C22H22N2O5S comprises 22 C, 22 H, 2 N, 5 O, 1 S atoms.
Also known as: 2-[4-[(Acetyl)phenylamino]-1,3-butadienyl]-3-(3-sulfonatopropyl)benzoxazolium · 2-[4-[(乙酰基)苯氨基]-1,3-丁二烯基]-3-(3-磺基丙基)苯并恶唑鎓
Category: organic chemicals
The CAS registry number of 2-[4-[(Acetyl)phenylamino]-1,3-butadienyl]-3-(3-sulfonatopropyl)benzoxazolium is 71130-58-0.
Molecular formula C22H22N2O5S, molecular weight 426.5.
It is also registered under: 2-[4-[(Acetyl)phenylamino]-1,3-butadienyl]-3-(3-sulfonatopropyl)benzoxazolium, 2-[4-[(乙酰基)苯氨基]-1,3-丁二烯基]-3-(3-磺基丙基)苯并恶唑鎓.
Recorded applications: General Manufacturing Information: Benzoxazolium, 2-[4-(acetylphenylamino)-1, 3-butadien-1-yl]-3-(3-sulfopropyl)-, inner salt: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-[4-[(Acetyl)phenylamino]-1,3-butadienyl]-3-(3-sulfonatopropyl)benzoxazolium (CAS 71130-58-0), compiled from public chemistry databases.
| CAS 号 | 71130-58-0 |
|---|---|
| PubChem CID | 117024 |
| 分子式 | C22H22N2O5S |
| IUPAC 名称 | 3-[2-[4-(N-acetylanilino)buta-1,3-dienyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate |
| Molecular Weight | 426.5 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 426.12494298 |
| Monoisotopic Mass | 426.12494298 |
| Topological Polar Surface Area | 103 |
| Heavy Atom Count | 30 |
Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-(3-sulfopropyl)-, inner salt; Anhydro-2-(4-acetanilido-1,3-butadienyl)-3-(3-sulfopropyl)benzoxazolium hydroxide; DTXSID2072255; Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-(3-sulfopropyl)-, inner salt; Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-(3-sulfopropyl)-, inner salt; RefChem:118710; DTXCID2046911; Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadien-1-yl]-3-(3-sulfopropyl)-, inner salt; 71130-58-0; LDBUAAMQOTVEFO-UHFFFAOYSA-N
2-[4-[(乙酰基)苯氨基]-1,3-丁二烯基]-3-(3-磺基丙基)苯并恶唑鎓 · CAS 71130-58-0 · C22H22N2O5S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.