기본 정보
- CAS
78510-19-7- 표준 SMILES
COc1cc(/C=C/C(=O)NCCc2ccc(O)c(OC)c2)ccc1O- InChIKey
GRXBVKANHNUZNL-VMPITWQZSA-N- 분자식
- C19H21NO5
- 평균 분자량
- 343.4 g/mol
- 단동위원소 질량
- 343.14197277
개요
N-trans-feruloyl-3-methoxytyramine is a hydroxycinnamic acid. It has a role as a metabolite.
이름 및 식별자
- 우선 이름
- N-Trans-Feruloylmethoxytyramine
- IUPAC
- (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
- 영어명
- 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
- 분자식
- C19H21NO5
- 분자량
- 343.37
이름 및 동의어
78510-19-7N-trans-feruloylmethoxytyraminen-feruloyl-3-methoxytyraminetrans-feruloylmethoxytyramineN-Feruloyl-3-methoxytyramine, (E)-693Y4AOA91N-Transferuloyl 3-O-methyldopaminetrans-N-feruloyl-3-o-methyldopamineDTXSID201304540(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide(2E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-, (2E)-
이름 더 보기
3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)prop-2-enamideRefChem:1092130DTXCID901734552N-trans-Feruloyl-3-methoxytyramineHmp-hmpepN-trans-Feruloyl-3-methyldopaminetrans-N-Feruloyl-3-methoxytyramineNSC723670
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 442
물리화학적 성질
- 녹는점
- 158 · 158-160 °C
- 끓는 점
- 618.9 · 618.9±55.0 °C(Predicted)
- 밀도
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.78 · 9.78±0.35(Predicted)
화학 및 산업
공급사51 곳
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