기본 정보
- CAS
63937-36-0- 표준 SMILES
COc1ccc2c(c1)CCN(C)C2CCc1ccc([N+](=O)[O-])cc1- InChIKey
SIPXVTDBUYGIKR-UHFFFAOYSA-N- 분자식
- C19H22N2O3
- 평균 분자량
- 326.4 g/mol
- 단동위원소 질량
- 326.16304257
이름 및 식별자
- 우선 이름
- 6-Methoxy-2-methyl-1-(2-(4-nitrophenyl)ethyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 6-methoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
- 영어명
- 1,2,3,4-Tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)isoquinoline
- 분자식
- C19H22N2O3
- 분자량
- 326.39
이름 및 동의어
63937-36-0DTXSID909811776-Methoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline6-Methoxy-2-methyl-1-(2-(4-nitrophenyl)ethyl)-1,2,3,4-tetrahydroisoquinolineRefChem:1074032DTXCID8014084496-METHOXY-2-METHYL-1-(4-NITROPHENETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINEBRN 15050691-(4-Nitrophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 6-methoxy-2-methyl-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(4-NITROPHENETHYL)-5-21-04-00066 (Beilstein Handbook Reference)
이름 더 보기
Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-
NIOSH/NX50850101,2,3,4-Tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)isoquinolineDB-290983NX50850100(+-)-1,2,3,4-Tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)isoquinoline(+-)-1-(4'-Nitrophenaethyl)-2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin(+-)-1-(4'-Nitrophenaethyl)-2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin [German]Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(4-nitrophenethyl)-, (+-)-
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 58.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 417
물리화학적 성질
- 녹는점
- 115 · 115-116 °C
- 끓는 점
- 480.5 · 480.5±45.0 °C(Predicted)
- 밀도
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.35 · 8.35±0.40(Predicted)
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