CAS 51248-73-8 beta-Alanine, N-(3-(acetylamino)-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(2-cyanoethyl)-, 2-methoxyethyl ester (HCID 171006)

기본 정보

CAS: 51248-73-8
표준 SMILES: COCCOC(=O)CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)c(NC(C)=O)c1
InChIKey: KKDFDCUNVXQWKF-UHFFFAOYSA-N
분자식: C23H25ClN6O6
평균 분자량: 516.9 g/mol
단동위원소 질량: 516.1524102

이름 및 식별자

우선 이름: beta-Alanine, N-(3-(acetylamino)-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(2-cyanoethyl)-, 2-methoxyethyl ester
IUPAC: 2-methoxyethyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanoate
영어명: 2-methoxyethyl N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-beta-alaninate
분자식: C23H25ClN6O6
분자량: 516.94

이름 및 동의어

beta-Alanine, N-(3-(acetylamino)-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(2-cyanoethyl)-, 2-methoxyethyl esterbeta-Alanine, N-[3-(acetylamino)-4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl esterRefChem:567172.beta.-Alanine, N-[3-(acetylamino)-4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester51248-73-8.beta.-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester2-Methoxyethyl N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-n-(2-cyanoethyl)-beta-alaninatebeta-Alanine, N-(3-(acetylamino)-4-((2-chloro-4-nitrophenyl)azo)phenyl)-N-(2-cyanoethyl)-, 2-methoxyethyl esterbeta-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl esterEINECS 257-084-92-Methoxyethyl N-(3-(acetylamino)-4-((2-chloro-4-nitrophenyl)azo)phenyl)-N-(2-cyanoethyl)-beta-alaninateAP46ZUQ945

이름 더 보기

2-Acetylamino-4-[N-(2-cyanoethyl)-N-[2-(2-methoxyethoxycarbonyl)ethyl]amino]-2'-chloro-4'-nitroazobenzene

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 162 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 13
무거운 원자 수: 36
형식 전하: 0
복잡도: 815

물리화학적 성질

끓는 점: 765.449 · 765.449±60.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.334 · 1.334±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 14.159 · 14.159±0.70(predicted)
EPA: 3 · .beta.-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester (51248-73-8)

안전 및 규제

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-09057

화학 및 산업

용도 및 제조

General Manufacturing Information.beta.-Alanine, N-[3-(acetylamino)-4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester: INACTIVE

화합물 노트

불러오는 중…

beta-Alanine, N-(3-(acetylamino)-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(2-cyanoethyl)-, 2-methoxyethyl ester