CAS 208925-08-0 (1R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-YL)ethanol (HCID 56600231)

基本情報

CAS: 208925-08-0
標準SMILES: CC1(C)OCc2cc([C@@H](O)CN)ccc2O1
InChIKey: XTAAANMPVNIYBF-JTQLQIEISA-N
分子式: C12H17NO3
平均分子量: 223.27 g/mol

名称と識別子

優先名称: (1R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-YL)ethanol
IUPAC: (1R)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
現地名: (1R)-2-アミノ-1-(2,2-ジメチル-4H-1,3-ベンゾジオキシン-6-イル)エタノール
英語名: (R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
分子式: C12H17NO3
分子量: 223.26828

名称と別名

208925-08-0(1R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanolRefChem:393062695-691-4(R)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol(r)-2-amino-1-(2,2-dimethyl-4h-benzo[d][1,3]dioxin-6-yl)ethanol(R)-2-Amino-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-olSCHEMBL1205580XTAAANMPVNIYBF-JTQLQIEISA-N(1R)-2-amino-1-(2,2-dimethyl-2,4-dihydro-1,3-benzodioxin-6-yl)ethan-1-olAC-30865CS-0166185

名称をさらに表示

(1R)-2-アミノ-1-(2,2-ジメチル-4H-1,3-ベンゾジオキシン-6-イル)エタノールVilanterol Impurity 4Vilanterol Impurity 364H-1,3-Benzodioxin-6-methanol, α-(aminomethyl)-2,2-dimethyl-, (αR)-(R)-2-Amino-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-ol (Vilanterol Impurity）

H51484(1R)-2-amino-1-(2,2-dimethyl4H-1,3-benzodioxin-6-yl)ethanol(R)-2-Amino-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-ol (Vilanterol Impurity

物性

構造計算による物性

XLogP: 0.2
極性表面積: 64.7 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 244

物理化学的性質

沸点: 404.7 · 404.7±45.0 °C(Predicted)
比重(密度): 1.165 · 1.165±0.06 g/cm3(Predicted)
溶解性: soluble in Dichloromethane, Ethyl Acetate, Methanol
酸解離定数(Pka): 12.04 · 12.04±0.35(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.