α-メチルピリジン-3-メタノール

alpha-Methyl-3-pyridinemethanol

HCID 101192CAS 10593-35-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(O)c1cccnc1
InChIKey: QMDUEBURHKSKDG-UHFFFAOYSA-N
分子式: C7H9NO
平均分子量: 123.15 g/mol
単同位体質量: 123.06841391

概要

RN given refers to cpd without isomeric designation

名称と識別子

優先名称: alpha-Methyl-3-pyridinemethanol
IUPAC: 1-pyridin-3-ylethanol
現地名: α-メチルピリジン-3-メタノール
英語名: 3-(1-Hydroxyethyl)pyridine
分子式: C7H9NO
分子量: 123.15

名称と別名

4754-27-21-(3-Pyridyl)ethanolalpha-Methyl-3-pyridinemethanolH6E9JKE977NSC-526489RefChem:915550225-280-33-(1-Hydroxyethyl)pyridine1-(Pyridin-3-yl)ethanol1-pyridin-3-ylethanol1-Pyridin-3-yl-ethanol1-(pyridin-3-yl)ethan-1-ol

名称をさらに表示

1-(3-ピリジニル)エタノールα-メチルピリジン-3-メタノールα-メチル-3-ピリジンメタノール3-(1-ヒドロキシエチル)ピリジン1-(3-ピリジル)エタノール1-(ピリジン-3-イル)エタノール1-(ピリジン-3-イル)エタン-1-オール3-METHYLPYRIDINECARBINOLa-Methyl-3-PyridineMethanolα-Methyl-3-pyridinemethanol1-Pyridin-3-YL-Ethanol,>98%3-PyridineMethanol, a-Methyl-

Methyl-3-pyridylcarbinolMFCD016916863-Pyridinemethanol, alpha-methyl-(1R)-1-(3-Pyridyl)ethanol(+/-)-1-(3-Pyridyl)ethanol10593-35-83-Pyridylmethylcarbinolalpha-Methylpyridine-3-methanol

データベース識別子

CAS: 10593-35-8、4754-27-2
PubChem CID: 101192
DTXSID: DTXSID20909829
UNII: H6E9JKE977
EC Number: 225-280-3
Nikkaji: J262.434F

物性

構造計算による物性

XLogP: 1
極性表面積: 33.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

沸点: 123 · 123-125 °C(Press: 5 Torr)
比重(密度): 1.082 · 1.082±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 13.75 · 13.75±0.20(Predicted)
外見: liquid
色: light brown
InChI: InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
InChIKey: QMDUEBURHKSKDG-UHFFFAOYSA-N
SMILES: C1(C(O)C)=CN=CC=C1

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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933399990
hazard_code: Xi

化学と産業

応用分野

使用The functional group of 3-(1-Hydroxyethyl)pyridine is a hydroxyl group. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.