기본 정보
- CAS
62072-81-5- 표준 SMILES
COC(=O)CCN(CCC(=O)OC)c1cc(NC(C)=O)c(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC- InChIKey
PRXVOZRQJNSLIB-UHFFFAOYSA-N- 분자식
- C23H26N6O10
- 평균 분자량
- 546.5 g/mol
- 단동위원소 질량
- 546.17104103
이름 및 식별자
- 우선 이름
- beta-Alanine, N-(5-(acetylamino)-4-(2-(2,4-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
- IUPAC
- methyl 3-[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-N-(3-methoxy-3-oxopropyl)anilino]propanoate
- 영어명
- methyl N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate
- 분자식
- C23H26N6O10
- 분자량
- 546.49
이름 및 동의어
EINECS 263-395-0DTXSID6069539.beta.-Alanine, N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester3,3'-((4-((2,4-Dinitrophenyl)azo)-5-((methylcarbonyl)amino)-2-methoxyphenyl)imino)bis(propanoic acid), dimethyl ester3,3'-((4-((2,4-Dinitrophenyl)azo)-5-(acetylamino)-2-methoxyphenyl)imino)bis(propanoic acid), dimethyl esterbeta-Alanine, N-(5-(acetylamino)-4-((2,4-dinitrophenyl)azo)-2-methoxyphenyl)-N-(3-methoxy-3-oxopropyl)-, methyl esterbeta-Alanine, N-(5-(acetylamino)-4-(2-(2,4-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(3-methoxy-3-oxopropyl)-, methyl esterbeta-Alanine, N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl esterRefChem:567198DTXCID5043219.beta.-Alanine, N-[5-(acetylamino)-4-[2-(2,4-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester62072-81-5
이름 더 보기
3,3'-[[5-Acetylamino-4-(2,4-dinitrophenylazo)-2-methoxyphenyl]imino]dipropionic acid dimethyl ester
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 887
물리화학적 성질
- 끓는 점
- 765.1 · 765.1±60.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.56 · 13.56±0.70(Predicted)
- EPA
- 5 · .beta.-Alanine, N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester (62072-81-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: .beta.-Alanine, N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester
Other Safety InformationIMAP assessments - .beta.-Alanine, N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-00093
화학 및 산업
용도 및 제조
General Manufacturing Information.beta.-Alanine, N-[5-(acetylamino)-4-[2-(2,4-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester: INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…