기본 정보
- CAS
4579-60-6- 표준 SMILES
COc1ccc(CNCCc2ccc(O)cc2)cc1O- InChIKey
SDLILULALIDNSO-UHFFFAOYSA-N- 분자식
- C16H19NO3
- 평균 분자량
- 273.33 g/mol
- 단동위원소 질량
- 273.13649347
개요
4'-O-methylnorbelladine is a phenethylamine alkaloid that is norbelladine in which the phenolic hydrogen at position 4' has been replaced by a methyl group. It has a role as a plant metabolite. It is a member of guaiacols, a polyphenol, a phenethylamine alkaloid and a secondary amino compound. It is functionally related to a norbelladine. It is a conjugate base of a 4'-O-methylnorbelladine(1+).
이름 및 식별자
- 우선 이름
- 4'-O-Methylnorbelladine
- IUPAC
- 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol
- 현지명
- 갈란타민1의영토
- 영어명
- INETERMEDIATE OF GALANTHAMINE 1
- 분자식
- C16H19NO3
- 분자량
- 273.33
이름 및 동의어
4'-O-MethylnorbelladineN-isovanillyltyramine5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol5-({[2-(4-Hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenolCHEBI:80667DTXSID502917295-[[[2-(4-HYDROXYPHENYL)ETHYL]AMINO]METHYL]-2-METHOXYPHENOL5-((2-(4-hydroxyphenyl)ethylamino)methyl)-2-methoxyphenol5-(((2-(4-HYDROXYPHENYL)ETHYL)AMINO)METHYL)-2-METHOXYPHENOLRefChem:96078DTXCID502428724579-60-6
이름 더 보기
갈란타민1의영토Galantamine Impurity 19INETERMEDIATE OF GALANTHAMINEN-(4-hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylaminePhenol, 5-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-2-methoxy-
N-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamineInetermediate of galanthamine 1MFCD014445865-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxy-phenol5-(((4-Hydroxyphenethyl)amino)methyl)-2-methoxyphenolNSC77594Probes1_000056Probes2_000396
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 61.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 266
물리화학적 성질
- 녹는점
- 183 · 183-1850C
- 끓는 점
- 471.8 · 471.8±40.0 °C(Predicted)
- 밀도
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.44 · 9.44±0.10(Predicted)
- 색상
- 옅은 갈색에서 갈색까지
화학적 성질
Brown Solid
화학 및 산업
응용 분야
용도N-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamine (cas# 4579-60-6) is a compound useful in organic synthesis.
공급사28 곳
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