methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-beta-alaninate (CAS 72595-17-6) — formula C21H22N6O5, molecular weight 438.4; category organic chemicals.
| CAS Number | 72595-17-6 |
|---|---|
| Molecular Formula | C21H22N6O5 |
| Molecular Weight | 438.4 |
| LogP | 2.7 |
| Applications | General Manufacturing Information: .beta.-Alanine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-, methyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: .beta.-Alanine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-, methyl ester: INACTIVE.
methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-beta-alaninate is a carbon-based organic compound with CAS registry number 72595-17-6 and molecular formula C21H22N6O5 (molecular weight 438.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72595-17-6
Its molecular formula C21H22N6O5 comprises 21 C, 22 H, 6 N, 5 O atoms.
Also known as: methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-beta-alaninate · N-[3-(乙酰氨基)-4-[(2-氰基-4-硝基苯基)偶氮]苯基]-N-乙基-β-丙氨酸甲酯
Category: organic chemicals
The CAS registry number of methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-beta-alaninate is 72595-17-6.
Molecular formula C21H22N6O5, molecular weight 438.4.
It is also registered under: methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-beta-alaninate, N-[3-(乙酰氨基)-4-[(2-氰基-4-硝基苯基)偶氮]苯基]-N-乙基-β-丙氨酸甲酯.
Recorded applications: General Manufacturing Information: .beta.-Alanine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-, methyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-beta-alaninate (CAS 72595-17-6), compiled from public chemistry databases.
| CAS 号 | 72595-17-6 |
|---|---|
| PubChem CID | 175086 |
| 分子式 | C21H22N6O5 |
| IUPAC 名称 | methyl 3-[3-acetamido-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoate |
| UNII（FDA） | GTV5FTF7AD |
| Molecular Weight | 438.4 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 438.16516782 |
| Monoisotopic Mass | 438.16516782 |
| Topological Polar Surface Area | 153 |
| Heavy Atom Count | 32 |
EINECS 276-727-4; beta-Alanine, N-(3-(acetylamino)-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-, methyl ester; Benzenamine, 4-((4-nitro-2-cyanophenyl)azo)-3-(acetylamino)-N-(2-(methoxycarbonyl)ethyl)-N-ethyl-; beta-Alanine, N-(3-(acetylamino)-4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)-N-ethyl-, methyl ester; beta-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester; beta-Alanine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-, methyl ester; RefChem:567174; .beta.-Alanine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-, methyl ester; 72595-17-6; .beta.-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester; GTV5FTF7AD; DTXSID8072580; IHGNMANWSZRSPH-UHFFFAOYSA-N; Methyl N-(3-(acetylamino)-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate; NS00037388; Methyl N-{3-acetamido-4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}-N-ethyl-beta-alaninate
N-[3-(乙酰氨基)-4-[(2-氰基-4-硝基苯基)偶氮]苯基]-N-乙基-β-丙氨酸甲酯 · CAS 72595-17-6 · C21H22N6O5. UNII GTV5FTF7AD.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.