(R)-N-[5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]formamide

HCID 11142645

ノート反応

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基本情報

CAS: 201677-59-0
標準SMILES: O=CNc1cc([C@@H](O)CBr)ccc1OCc1ccccc1
InChIKey: HKSUZIIGCSOMPX-HNNXBMFYSA-N
分子式: C16H16BrNO3
平均分子量: 350.21 g/mol
単同位体質量: 349.03135547

概要

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名称と識別子

優先名称: (R)-N-[5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]formamide
IUPAC: N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide
英語名: (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide
分子式: C16H16BrNO3
分子量: 350.21

名称と別名

201677-59-0(R)-N-[5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]formamide(R)-N-(2-(BENZYLOXY)-5-(2-BROMO-1-HYDROXYETHYL)PHENYL)FORMAMIDEMFCD11053534C16H16BrNO3N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide(R)-N-[2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl]formamideN-[5-[(1R)-2-Bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]formamideFormamide, N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]-(R)-N-[2-Benzyloxy-5-(2-bromo-1-hydroxy-ethyl)-phenyl]-formamideN-{2-(benzyloxy)-5-[(1R)-2-bromo-1-hydroxyethyl]phenyl}formamideHKSUZIIGCSOMPX-HNNXBMFYSA-N

名称をさらに表示

Formoterol Impurity 28Arformoterol Impurity 21(R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formam...N-[5-((1R)-2-bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]carboxamideFormamide,N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]-(R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamideQ: What is (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide Q: What is the CAS Number of (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide Q: What is the storage condition of (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide

SCHEMBL274550SCHEMBL30341869DTXSID40456769LT0055N-[2-benzyloxy-5-[(1R)-2-bromo-1-hydroxy-ethyl]phenyl]formamideAKOS016009543DS-15523SY065928

データベース識別子

CAS: 201677-59-0
PubChem CID: 11142645
DTXSID: DTXSID40456769

物性

構造計算による物性

XLogP: 2.5
極性表面積: 58.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 21
形式電荷: 0
複雑度: 310

物理化学的性質

融点: 130 · 130-131 °C
沸点: 559.6 · 559.6±50.0 °C(Predicted)
比重(密度): 1.489 · 1.489
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 12.84 · 12.84±0.20(Predicted)
InChI: InChI=1S/C16H16BrNO3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10H2,(H,18,19)/t15-/m0/s1
InChIKey: HKSUZIIGCSOMPX-HNNXBMFYSA-N
SMILES: C(NC1=CC([C@@H](O)CBr)=CC=C1OCC1=CC=CC=C1)=O