2-(5-メチル-2-フェニル-1,3-オキサゾール-4-イル)エタン-1-オール

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol

HCID 725585

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 103788-65-4
標準SMILES: Cc1oc(-c2ccccc2)nc1CCO
InChIKey: JYWHQBLLIBQGCU-UHFFFAOYSA-N
分子式: C12H13NO2
平均分子量: 203.24 g/mol
単同位体質量: 203.09462866

概要

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol is a member of 1,3-oxazoles.

名称と識別子

優先名称: 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol
IUPAC: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol
現地名: 2-(5-メチル-2-フェニル-1,3-オキサゾール-4-イル)エタン-1-オール
英語名: 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol
分子式: C12H13NO2
分子量: 203.24

名称と別名

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanolRefChem:458945103788-65-42-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol2-(5-Methyl-2-phenyloxazol-4-yl)ethanol2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol2-(5-methyl-2-phenyloxazole-4-yl)ethanol2-(5-methyl-2-phenyl-oxazol-4-yl)-ethanolMFCD001000062-(5-methyl-2-phenyl-oxazol-4-yl)ethanol4-OXAZOLEETHANOL, 5-METHYL-2-PHENYL-4-(2-Hydroxyethyl)-5-methyl-2-phenyloxazol

名称をさらに表示

2-(5-メチル-2-フェニル-1,3-オキサゾール-4-イル)エタン-1-オール2‐(5‐メチル‐2‐フェニル‐1,3‐オキサゾール‐4‐イル)エタン‐1‐オール2-(5-メチル-2-フェニルオキサゾール-4-イル)エタノールMURA-001BUTTPARK 37\06-812-(5-Methyl-2-phenyl-1,3-...5-Methyl-2-phenyl-oxazoleethanol2-(5-methyl-2-phenyloxazol-4-yl)ethan-1-ol

5-Methyl-2-phenyl-oxazoleethanol; 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol; 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethanol; 4-(2-Hydroxyethyl)-5-methyl-2-phenyloxazole;4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,3-oxazoleMaybridge3_000599SCHEMBL979145orb3031052DTXSID00352394CHEBI:194850JYWHQBLLIBQGCU-UHFFFAOYSA-N

データベース識別子

CAS: 103788-65-4
PubChem CID: 725585
DTXSID: DTXSID00352394
ChEBI: CHEBI:194850
EC Number: 673-134-6
Nikkaji: J1.565.574G

物性

構造計算による物性

XLogP: 2
極性表面積: 46.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 192

物理化学的性質

融点: 72 °C · 72 °C
沸点: 365.4 · 365.4±34.0 °C(Predicted)
比重(密度): 1.146 · 1.146±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 14.36 · 14.36±0.10(Predicted)
色: ペールベージュ
CAS データベース: 103788 · 103788-65-4(CAS DataBase Reference)

化学的性質

化学的特性Pale-Yellow Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.