methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate (CAS 68248-10-2) — formula C22H25N5O7, molecular weight 471.5; category organic chemicals.
methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate is a carbon-based organic compound with CAS registry number 68248-10-2 and molecular formula C22H25N5O7 (molecular weight 471.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 68248-10-2
Its molecular formula C22H25N5O7 comprises 22 C, 25 H, 5 N, 7 O atoms.
Also known as: methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate
Category: organic chemicals
The CAS registry number of methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate is 68248-10-2.
Molecular formula C22H25N5O7, molecular weight 471.5.
It is also registered under: methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate.
Category: Organic Chemicals.
Public-database records for methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate (CAS 68248-10-2), reproduced here for independent cross-checking.
| GHS notification summary | 100% (42 / 42) |
|---|
This chemical does not meet GHS hazard criteria for 100% (42 of 42) of all reports.
Reported as not meeting GHS hazard criteria by 42 of 42 companies. For more detailed information, please visit ECHA C&L website.
| GHS notification summary | 100% (42 / 42) |
|---|
| CAS Registry Number | 68248-10-2 |
|---|---|
| PubChem CID | 109075 |
| 分子式 | C22H25N5O7 |
| IUPAC 名称 | methyl 3-[3-acetamido-N-(3-methoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate |
| UNII（FDA） | SAY876L32B |
EINECS 262-732-9; 3,3'-((3-(Acetylamino)-4-((4-nitrophenyl)azo)phenyl)imino)bis(propanoic acid), dimethyl ester; .beta.-Alanine, N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester; beta-Alanine, N-(3-(acetylamino)-4-((4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester; beta-Alanine, N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester; RefChem:567176; 68248-10-2; .beta.-Alanine, N-3-(acetylamino)-4-(4-nitrophenyl)azophenyl-N-(3-methoxy-3-oxopropyl)-, methyl ester; 614-389-5; beta-Alanine, N-3-(acetylamino)-4-(4-nitrophenyl)azophenyl-N-(3-methoxy-3-oxopropyl)-, methyl ester; Disperse Red 278; 61355-92-8; methyl 3-[3-acetamido-N-(3-methoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate; METHYL N-[3-(ACETYLAMINO)-4-[(4-NITROPHENYL)AZO]PHENYL]-N-(3-METHOXY-3-OXOPROPYL)-BETA-ALANINATE; Methyl N-3-(acetylamino)-4-(4-nitrophenyl)azophenyl-N-(3-methoxy-3-oxopropyl)-alaninate; Methyl N-(3-(acetylamino)-4-((4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
| 分子量 | 471.5 |
|---|---|
| XLogP3 | 2.5 |
| 氢键供体数 | 1 |
| 氢键受体数 | 10 |
| 可旋转键数 | 12 |
| 精确质量 | 471.17539815 |
| 单同位素质量 | 471.17539815 |
| 拓扑极性表面积 | 155 |
| 重原子数 | 34 |
| 形式电荷 | 0 |
methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate · CAS 68248-10-2 · C22H25N5O7. UNII SAY876L32B.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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