기본 정보
- CAS
24958-44-9- 표준 SMILES
COc1cc(Br)c(C(=O)N(C)CCc2ccc(O)cc2)cc1O- InChIKey
CRZBVPSGSPBXEZ-UHFFFAOYSA-N- 분자식
- C17H18BrNO4
- 평균 분자량
- 380.2 g/mol
- 단동위원소 질량
- 379.04192016
개요
2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide is an alkaloid.
이름 및 식별자
- 우선 이름
- 2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide
- IUPAC
- 2-bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide
- 현지명
- 2-BroMo-5-하이드록시-N-(4-하이드록시페네틸)-4-메톡시-N-메틸벤자미드
- 영어명
- 2-BroMo-5-hydroxy-N-(4-hydroxyphenethyl)-4-Methoxy-N-MethylbenzaMide
- 분자식
- C17H18BrNO4
- 분자량
- 380.23
이름 및 동의어
24958-44-92-Bromo-5-hydroxy-N-(4-hydroxyphenethyl)-4-methoxy-N-methylbenzamide2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamideC12252Benzamide, 2-bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methyl-AC1L9F3NAM62632SureCN2157739P3QC3WV7B6SCHEMBL2157739CHEBI:31077DTXSID70332128
이름 더 보기
2-BroMo-5-하이드록시-N-(4-하이드록시페네틸)-4-메톡시-N-메틸벤자미드Benzamide,2-bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methyl-
N-methyl-N-(2-[4-hydroxyphenyl]ethyl)-2-bromo-5-hydroxy-4-methoxy benzene carboxamideN-methyl-N-(2-[4-hydroxyphenyl]ethyl)-2-bromo-5-hydroxy-4-methoxybenzenecarboxamideAK141882DB-335405Q27114125p-Anisamide, 2-bromo-5-hydroxy-N-(p-hydroxyphenethyl)-N-methyl-Benzamide, 2-bromo-5-hydroxy-4-methoxy-N-(p-hydroxyphenethyl)-N-methyl-
데이터베이스 식별자
- CAS
24958-44-9
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 387
물리화학적 성질
- 녹는점
- 288 · 288-289 °C
- 끓는 점
- 592.1 · 592.1±50.0 °C(Predicted)
- 밀도
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.82 · 8.82±0.23(Predicted)
- InChI
- InChI=1S/C17H18BrNO4/c1-19(8-7-11-3-5-12(20)6-4-11)17(22)13-9-15(21)16(23-2)10-14(13)18/h3-6,9-10,20-21H,7-8H2,1-2H3
- InChIKey
- CRZBVPSGSPBXEZ-UHFFFAOYSA-N
- SMILES
- C(N(CCC1=CC=C(O)C=C1)C)(=O)C1=CC(O)=C(OC)C=C1Br
화학 및 산업
공급사7 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京康菲迪化工科技有限公司025-86208213 、86208225 15951683105 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
郑州艾克姆化工有限公司13303867194 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
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