2-Ethoxyethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
기본 정보
- CAS
299947-96-9- 표준 SMILES
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OC- InChIKey
DDRAPBWIUAMBCC-UHFFFAOYSA-N- 분자식
- C24H31NO5
- 평균 분자량
- 413.5 g/mol
이름 및 식별자
- 우선 이름
- 2-Ethoxyethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- IUPAC
- 2-ethoxyethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- 2-(ethyloxy)ethyl 2,7,7-trimethyl-4-[2-(methyloxy)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- 분자식
- C24H31NO5
- 분자량
- 413.51
이름 및 동의어
2-(ethyloxy)ethyl 2,7,7-trimethyl-4-[2-(methyloxy)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-ethoxyethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSTK372595AKOS000572958AKOS0220654522-ethoxyethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateST50912089AG-690/10381026SR-01000406104SR-01000406104-12-ethoxyethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroqu inoline-3-carboxylate3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-, 2-ethoxyethyl ester
데이터베이스 식별자
- CAS
299947-96-9
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 736
물리화학적 성질
- 끓는 점
- 541.8 · 541.8±50.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.28 · 1.28±0.70(Predicted)
관련 반응
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