기본 정보
- CAS
71636-38-9- 표준 SMILES
COc1ccc(C(O)CNCCc2ccc(OC)c(OC)c2Cl)cc1- InChIKey
PQRXADLRQKVLHQ-UHFFFAOYSA-N- 분자식
- C19H24ClNO4
- 평균 분자량
- 365.8 g/mol
- 단동위원소 질량
- 365.13938593
이름 및 식별자
- 우선 이름
- N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine
- IUPAC
- 2-[2-(2-chloro-3,4-dimethoxyphenyl)ethylamino]-1-(4-methoxyphenyl)ethanol
- 영어명
- N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine
- 분자식
- C19H24ClNO4
- 분자량
- 365.85
이름 및 동의어
71636-38-9N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine2-((2-Chloro-3,4-dimethoxyphenethyl)amino)-1-(4-methoxyphenyl)ethanol2-[2-(2-chloro-3,4-dimethoxyphenyl)ethylamino]-1-(4-methoxyphenyl)ethanolEINECS 275-740-22-{[2-(2-Chloro-3,4-dimethoxyphenyl)ethyl]amino}-1-(4-methoxyphenyl)ethan-1-olalpha-(((2-(2-Chloro-3,4-dimethoxyphenyl)ethyl)amino)methyl)-4-methoxybenzyl alcoholMFCD07787564SCHEMBL8993202DTXSID20992211PQRXADLRQKVLHQ-UHFFFAOYSA-N2-(2-chloro-3,4-dimethoxyphenethylamino)-1-(4-methoxyphenyl)ethanol
이름 더 보기
Fenoldopam Impurity3Fenoldopam intermediateN-[2-Hydroxy-2-(4-Methoxyphenyl)Ethyl]-2-(2-Chloro-3,4-Dimethoxyphenyl)EthylamN-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxy phenyl)ethylamiN-[2-Hydroxy-2-(4-Methoxyphenyl)Ethyl]-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethylaminα-[[[2-(2-Chloro-3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-methoxybenzenemethanol
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 60 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 365
물리화학적 성질
- 녹는점
- 118 · 118-121°C
- 밀도
- 1.191 · 1.191
- 저장 조건
- 2 · 2-8°C(protect from light)
- InChI
- InChI=1S/C19H24ClNO4/c1-23-15-7-4-13(5-8-15)16(22)12-21-11-10-14-6-9-17(24-2)19(25-3)18(14)20/h4-9,16,21-22H,10-12H2,1-3H3
- InChIKey
- PQRXADLRQKVLHQ-UHFFFAOYSA-N
- SMILES
- N(CC(C1=CC=C(OC)C=C1)O)CCC1=CC=C(OC)C(OC)=C1Cl
화학 및 산업
공급사27 곳
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