기본 정보
- CAS
68992-00-7- 표준 SMILES
CCC(=O)Nc1cc(N(CCC(=O)OC)CCC(=O)OC)c(OC)cc1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
DQHAOOGYAZZHJJ-UHFFFAOYSA-N- 분자식
- C24H28N6O10
- 평균 분자량
- 560.5 g/mol
- 단동위원소 질량
- 560.1866911
이름 및 식별자
- 우선 이름
- Methyl N-(4-((2,4-dinitrophenyl)azo)-2-methoxy-5-((1-oxopropyl)amino)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
- IUPAC
- methyl 3-[4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-N-(3-methoxy-3-oxopropyl)-5-(propanoylamino)anilino]propanoate
- 영어명
- methyl N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate
- 분자식
- C24H28N6O10
- 분자량
- 560.51
이름 및 동의어
68992-00-7EINECS 273-664-48FG90CYN4DDTXSID1071951.beta.-Alanine, N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester3,3'-((4-((2,4-Dinitrophenyl)azo)-5-((ethylcarbonyl)amino)-2-methoxyphenyl)imino)bis(propionic acid), dimethyl esterbeta-Alanine, N-(4-((2,4-dinitrophenyl)azo)-2-methoxy-5-((1-oxopropyl)amino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl esterbeta-Alanine, N-(4-(2-(2,4-dinitrophenyl)diazenyl)-2-methoxy-5-((1-oxopropyl)amino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl esterMethyl N-(4-((2,4-dinitrophenyl)azo)-2-methoxy-5-((1-oxopropyl)amino)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate.BETA.-ALANINE, N-(4-((2,4-DINITROPHENYL)AZO)-2-METHOXY-5-((1-OXOPROPYL)AMINO)PHENYL)-N-(3-METHOXY-3-OXOPROPYL)-, METHYL ESTERbeta-Alanine, N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl esterMethyl N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 903
물리화학적 성질
- 끓는 점
- 770.037 · 770.037±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.385 · 1.385±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.561 · 13.561±0.70(predicted)
- EPA
- 4 · .beta.-Alanine, N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester (68992-00-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: .beta.-Alanine, N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester
Other Safety InformationIMAP assessments - .beta.-Alanine, N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information.beta.-Alanine, N-[4-[2-(2,4-dinitrophenyl)diazenyl]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester: INACTIVE
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