(E)-6-(3,4-dimethoxyphenyl)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-N,N-diethyl-3-methyl-4-oxohex-5-enamide
기본 정보
- CAS
1462868-88-7- 표준 SMILES
CCN(CC)C(=O)CC(C)(C(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)/C=C/c1ccc(OC)c(OC)c1- InChIKey
UWVCYNXVZRDWSD-UNZYHPAISA-N- 분자식
- C30H37NO7
- 평균 분자량
- 523.6 g/mol
- 단동위원소 질량
- 523.25700252
이름 및 식별자
- 우선 이름
- (E)-6-(3,4-dimethoxyphenyl)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-N,N-diethyl-3-methyl-4-oxohex-5-enamide
- IUPAC
- (E)-6-(3,4-dimethoxyphenyl)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-N,N-diethyl-3-methyl-4-oxohex-5-enamide
- 영어명
- 5-Hexenamide, 6-(3,4-dimethoxyphenyl)-3-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-N,N-diethyl-3-methyl-4-oxo-, (5E)-
- 분자식
- C30
- 분자량
- 523.62
이름 및 동의어
TML-61462868-88-7SCHEMBL21392617(E)-6-(3,4-dimethoxyphenyl)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-N,N-diethyl-3-methyl-4-oxohex-5-enamideTML6394YU46YVBorb1693119AKOS040755648MS-29697HY-137315CS-0137646G17600
이름 더 보기
TML6,TML 6
T37148(5E)-6-(3,4-Dimethoxyphenyl)-3-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-N,N-diethyl-3-methyl-4-oxo-5-hexenamide(5E)-6-(3,4-Dimethoxyphenyl)-3-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-N,N-diethyl-3-methyl-4-oxo-5-hexenamide (ACI)(E)-6-(3,4-Dimethoxyphenyl)-3-((E)-3-(3,4-dimethoxyphenyl)acryloyl)-N,N-diethyl-3-methyl-4-oxohex-5-enamide5-Hexenamide, 6-(3,4-dimethoxyphenyl)-3-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-N,N-diethyl-3-methyl-4-oxo-, (5E)-
데이터베이스 식별자
- CAS
1462868-88-7- PubChem CID
- 72705569
- UNII
- 394YU46YVB
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 91.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 782
물리화학적 성질
- 끓는 점
- 688.1 · 688.1±55.0 °C(Predicted)
- 밀도
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C, · 4°C, stored under nitrogen
- 용해도
- 120 mg/mL · DMSO : 120 mg/mL (229.17 mM; Need ultrasonic)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- -0.84 · -0.84±0.70(Predicted)
- 색상
- Off-white to yellow
관련 반응
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