(2,6-ジメチルピリジン-4-イル)メタノール

2,6-Dimethyl-4-(hydroxymethyl)pyridine

HCID 3825077

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18088-01-2
標準SMILES: Cc1cc(CO)cc(C)n1
InChIKey: DLDGHMPQNVTNRC-UHFFFAOYSA-N
分子式: C8H11NO
平均分子量: 137.18 g/mol
単同位体質量: 137.08406397

名称と識別子

優先名称: 2,6-Dimethyl-4-(hydroxymethyl)pyridine
IUPAC: (2,6-dimethyl-4-pyridinyl)methanol
現地名: (2,6-ジメチルピリジン-4-イル)メタノール
英語名: (2,6-DIMETHYLPYRIDIN-4-YL)METHANOL
分子式: C8H11NO
分子量: 137.18

名称と別名

2,6-Dimethyl-4-(hydroxymethyl)pyridineRefChem:445676640-723-4(2,6-dimethylpyridin-4-yl)methanol18088-01-24-Pyridinemethanol, 2,6-dimethyl-MFCD00956275(2,6-Dimethyl-pyridin-4-yl)-methanol4-(Hydroxymethyl)-2,6-dimethylpyridine4-Pyridinemethanol,2,6-dimethyl-2,6-Dimethylpyridine-4-methanol2,6-dimethyl-4

名称をさらに表示

(2,6-ジメチルピリジン-4-イル)メタノール2,6-ジメチル-4-(ヒドロキシメチル)ピリジンAbametapir Impurity 112,6-Dimethyl-4-pyridylmethanol2,6-diMethyl-4-PyridineMethanol(2,6-Dimethylpyridin-4-yl)methanol, 2,6-Dimethylisonicotinyl alcohol

SCHEMBL377724SCHEMBL5898333DTXSID50396925DLDGHMPQNVTNRC-UHFFFAOYSA-N(2,6-dimethyl-4-pyridyl)methanol(2,6-dimethyl-4-pyridinyl)methanolSBB0547884-Hydroxymethyl-2,6-dimethylpyridine

データベース識別子

CAS: 18088-01-2
PubChem CID: 3825077
DTXSID: DTXSID50396925
EC Number: 640-723-4

物性

構造計算による物性

XLogP: 0.6
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: 10
形式電荷: 0
複雑度: 95.4

物理化学的性質

融点: 98 °C · 98 °C(Solv: cyclohexane (110-82-7))
沸点: 242.7 · 242.7±35.0 °C(Predicted)
比重(密度): 1.063 · 1.063±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder
酸解離定数(Pka): 13.48 · 13.48±0.10(Predicted)
色: Pale yellow

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)

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