기본 정보
- CAS
63938-02-3- 표준 SMILES
CN1CCC2=C(CCCC2)C1CCc1ccc([N+](=O)[O-])cc1- InChIKey
NHZSGFPRDZNUNP-UHFFFAOYSA-N- 분자식
- C18H24N2O2
- 평균 분자량
- 300.4 g/mol
- 단동위원소 질량
- 300.18377801
이름 및 식별자
- 우선 이름
- Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(4-nitrophenethyl)-
- IUPAC
- 2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline
- 현지명
- (+)-1,2,3,4,5,6,7,8-옥타히드로-2-메틸-1-(4-니트로펜에틸)이소퀴놀린
- 영어명
- (+)-1,2,3,4,5,6,7,8-Octahydro-2-methyl-1-(4-nitrophenethyl)isoquinoline
- 분자식
- C18H24N2O2
- 분자량
- 300.4
이름 및 동의어
63938-02-3ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-(4-NITROPHENETHYL)-RefChem:10876972-METHYL-1-(4-NITROPHENETHYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINEBRN 41495412-Methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline1-(4-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline(+)-1-(4-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline(-)-1-(4-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinolineIsoquinoline, 2-methyl-1-(4-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-(4-NITROPHENETHYL)-, (+)-ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-(4-NITROPHENETHYL)-, (-)-
이름 더 보기
(+)-1,2,3,4,5,6,7,8-옥타히드로-2-메틸-1-(4-니트로펜에틸)이소퀴놀린(-)-1,2,3,4,5,6,7,8-Octahydro-2-methyl-1-(4-nitrophenethyl)isoquinoline
Isoquinoline, 2-methyl-1-(4-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-, (+)-Isoquinoline, 2-methyl-1-(4-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-, (-)-DTXSID90981213(+)-1,2,3,4,5,6,7,8-Octahydro-2-methyl-1-(4-nitrophenethyl)isoquinoline63938-03-463938-04-5DB-299373
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 49.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 433
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