기본 정보
- CAS
63059-39-2- 표준 SMILES
CCOC(=O)c1c2c3c(c(Nc4ccc(C)cc4)ccc3n(C)c1=O)C(=O)c1ccccc1-2- InChIKey
HVNKGNJVFCTCJX-UHFFFAOYSA-N- 분자식
- C27H22N2O4
- 평균 분자량
- 438.5 g/mol
- 단동위원소 질량
- 438.15795719
이름 및 식별자
- 우선 이름
- 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-, ethyl ester
- IUPAC
- ethyl 14-methyl-10-(4-methylanilino)-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate
- 영어명
- 2,7-Dihydro-3-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylic acid ethyl ester
- 분자식
- C27H22N2O4
- 분자량
- 438.47
이름 및 동의어
3H-Dibenz(f,ij)isoquinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-, ethyl ester3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl ester3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-, ethyl ester3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl esterRefChem:50574863059-39-2DTXSID2069656HVNKGNJVFCTCJX-UHFFFAOYSA-N2,7-Dihydro-3-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylic acid ethyl esterDB-313209Ethyl 3-methyl-6-(4-methylanilino)-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate
데이터베이스 식별자
- CAS
63059-39-2- PubChem CID
- 112996
- DTXSID
DTXSID2069656
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 75.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 843
물리화학적 성질
- 끓는 점
- 638.2 · 638.2±55.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.72 · -0.72±0.40(Predicted)
- EPA
- 3 H-Dibenz[f,ij]isoquinoline-1-carboxylic · 3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl ester (63059-39-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 2,7-dihydro-3-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl ester: INACTIVE
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