기본 정보
- CAS
71685-41-1- 표준 SMILES
CCOC(=O)c1c(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)ccc(OC)c1OC- InChIKey
MKJDRNNCXMLCPO-UHFFFAOYSA-N- 분자식
- C25H31NO8
- 평균 분자량
- 473.5 g/mol
- 단동위원소 질량
- 473.20496695
이름 및 식별자
- 우선 이름
- Ethyl 6-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoate
- IUPAC
- ethyl 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate
- 영어명
- ethyl 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate
- 분자식
- C25H31NO8
- 분자량
- 473.52
이름 및 동의어
Ethylnarceine71685-41-1TR4P0J5V84Ethyl 6-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoateUNII-TR4P0J5V84EINECS 275-838-5ETHYL NARCEINATEDTXSID00221915MKJDRNNCXMLCPO-UHFFFAOYSA-NNS00037270Q27290197BENZOIC ACID, 6-((6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXY-, ETHYL ESTER
이름 더 보기
Narcene ethylateethyl 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate6-[[6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid ethyl ester2,3-Dimethoxy-6-[[5-[2-(dimethylamino)ethyl]-7-methoxy-1,3-benzodioxole-6-yl]acetyl]benzoic acid ethyl esterBenzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, ethyl ester
BENZOIC ACID, 6-(2-(6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXY-, ETHYL ESTEREthyl 6-({6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoate
데이터베이스 식별자
- CAS
71685-41-1- PubChem CID
- 82997
- DTXSID
DTXSID00221915- UNII
- TR4P0J5V84
- EC Number
- 275-838-5
- Nikkaji
- J299.035K
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 92.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 673
물리화학적 성질
- 끓는 점
- 605.5 · 605.5±55.0 °C(Predicted)
- 밀도
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.2 · 9.20±0.28(Predicted)
관련 반응
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