(2-メチルキノリン-4-イル)メタノール

(2-Methylquinolin-4-yl)methanol

HCID 10149033

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4939-28-0
標準SMILES: Cc1cc(CO)c2ccccc2n1
InChIKey: MNDWQNXETQDJMZ-UHFFFAOYSA-N
分子式: C11H11NO
平均分子量: 173.21 g/mol
単同位体質量: 173.08406397

名称と識別子

優先名称: (2-Methylquinolin-4-yl)methanol
IUPAC: (2-methylquinolin-4-yl)methanol
現地名: (2-メチルキノリン-4-イル)メタノール
英語名: (2-Methyl-quinolin-4-yl)-methanol
分子式: C11H11NO
分子量: 173.21

名称と別名

(2-methylquinolin-4-yl)methanol4939-28-0DTXSID00436148RefChem:206220DTXCID60386973967-691-7(2-METHYL-QUINOLIN-4-YL)-METHANOLMFCD07371472(2-methyl-4-quinolyl)methanol2-Methylquinoline-4-methanol(2-methyl-4-quinolinyl)methanol2-methyl-4-hydroxymethylquinoline

名称をさらに表示

(2-メチルキノリン-4-イル)メタノール2-Methyl-4-quinolinemethanol4-Quinolinemethanol, 2-methyl-1-(2-Methylquinolin-4-yl)methanol(2-Methylquinolin-4-yl)methanol - [M89007](1-methylindol-2-yl)-[2-(3-pyridyl)-1,3-dithian-2-yl]methanol(1-methylindol-2-yl)-(2-pyridin-3-yl-1,3-dithian-2-yl)methanol

A1BC32-methylquinolin-4-ylmethanolSCHEMBL1366357SCHEMBL39649162-methyl4-hydroxymethylquinolineMNDWQNXETQDJMZ-UHFFFAOYSA-N(2-Methyl-quinolin-4-yl)methanol4-hydroxymethyl-2-methyl quinoline

データベース識別子

CAS: 4939-28-0
PubChem CID: 10149033
DTXSID: DTXSID00436148
EC Number: 967-691-7
Nikkaji: J3.707.770D

物性

構造計算による物性

XLogP: 1.7
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: 13
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 148 °C · 148 °C
沸点: 337.3 · 337.3±27.0 °C(Predicted)
比重(密度): 1.179 · 1.179±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 13.46 · 13.46±0.10(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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.