기본 정보
- CAS
63937-61-1- 표준 SMILES
COc1cc2c(cc1OC)C(CCc1ccc(Cl)c(Cl)c1Cl)N(C)CC2- InChIKey
WZUMCRQKXQMYEY-UHFFFAOYSA-N- 분자식
- C20H22Cl3NO2
- 평균 분자량
- 414.7 g/mol
- 단동위원소 질량
- 413.071612
이름 및 식별자
- 우선 이름
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)-
- IUPAC
- 6,7-dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
- 영어명
- 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)isoquinoline
- 분자식
- C20H22Cl3NO2
- 분자량
- 414.75
이름 및 동의어
63937-61-11-(2,3,4-Trichlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)-Isoquinoline, 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-(2,3,4-trichlorophenethyl)-RefChem:3499446,7-DIMETHOXY-2-METHYL-1-(2,3,4-TRICHLOROPHENETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINEDTXSID709811901,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)isoquinoline6,7-Dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolineDB-2909816,7-dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-
데이터베이스 식별자
- CAS
63937-61-1- PubChem CID
- 45499
- DTXSID
DTXSID70981190- Nikkaji
- J94.691E
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 21.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 455
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