기본 정보
- CAS
63937-39-3- 표준 SMILES
CN1CCc2cc3c(cc2C1CCc1ccc([N+](=O)[O-])cc1)OCO3- InChIKey
MZFGOOZAYYXRBX-UHFFFAOYSA-N- 분자식
- C19H20N2O4
- 평균 분자량
- 340.4 g/mol
- 단동위원소 질량
- 340.14230712
이름 및 식별자
- 우선 이름
- Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-
- IUPAC
- 6-methyl-5-[2-(4-nitrophenyl)ethyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
- 영어명
- 5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo[4,5-g]isoquinoline
- 분자식
- C19H20N2O4
- 분자량
- 340.37
이름 및 동의어
63937-39-3Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-RefChem:1087731NIOSH/JI4883000JI48830000(+-)-1-(4'-Nitrophenaethyl)-2-methyl-6,7-methylendioxy-1,2,3,4-tetrahydro-isochinolin(+-)-5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo(4,5-g)isoquinoline1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6-methyl-5-(4-nitrophenethyl)-, (+-)-BRN 10427331-(4-Nitrophenethyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydro-Isoquinoline, 2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-DTXSID50981178
이름 더 보기
1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-5-[2-(4-nitrophenyl)ethyl]-
5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo[4,5-g]isoquinolineDB-3063136-Methyl-5-[2-(4-nitrophenyl)ethyl]-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 67.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 475
관련 반응
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