기본 정보
- CAS
63937-56-4- 표준 SMILES
COc1cc2c(cc1OC)C(CCc1ccccc1[N+](=O)[O-])N(C)CC2- InChIKey
GEYZYDGDYWJOGO-UHFFFAOYSA-N- 분자식
- C20H24N2O4
- 평균 분자량
- 356.4 g/mol
- 단동위원소 질량
- 356.17360725
이름 및 식별자
- 우선 이름
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-
- IUPAC
- 6,7-dimethoxy-2-methyl-1-[2-(2-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
이름 및 동의어
63937-56-4ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(2-NITROPHENETHYL)-RefChem:10877456,7-DIMETHOXY-2-METHYL-1-(2-NITROPHENETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINEBRN 15116591-(2-Nitrophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-1,2,3,4-tetrahydro-NIOSH/NX5031000DTXSID209811856,7-Dimethoxy-2-methyl-1-[2-(2-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolineNX50310000(+-)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)isoquinoline
이름 더 보기
(+-)-1-(2'-Nitrophenaethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isochinolinIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-, (+-)-(+-)-1-(2'-Nitrophenaethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isochinolin [German]
데이터베이스 식별자
- CAS
63937-56-4- PubChem CID
- 45491
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 67.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 469
관련 반응
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