2,4-Dimethyl-3-pyridinemethanol

HCID 10329351

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基本情報

CAS: 194151-96-7
標準SMILES: Cc1ccnc(C)c1CO
InChIKey: QFDOCIBRLAUHMD-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: 2,4-Dimethyl-3-pyridinemethanol
IUPAC: (2,4-dimethyl-3-pyridinyl)methanol
英語名: 3-Pyridinemethanol,2,4-dimethyl-(9CI)
分子式: C8H11NO
分子量: 137.18

名称と別名

(2,4-dimethylpyridin-3-yl)methanol194151-96-72,4-Dimethyl-3-pyridinemethanolDTXSID501304163RefChem:443746DTXCID501734186962-785-4(2,4-dimethyl-pyridin-3-yl)-methanol(2,4-dimethyl-3-pyridyl)methanolMFCD169887253-Pyridinemethanol,2,4-dimethyl-(9CI)SCHEMBL305502

名称をさらに表示

3-Pyridinemethanol, 2,4-dimethyl-(2,4-Dimethylpyridin-3-yl)methanol - [D88733]

SCHEMBL7735588SCHEMBL31150926QFDOCIBRLAUHMD-UHFFFAOYSA-N(24-Dimethylpyridin-3-yl)methanol2,4-dimethyl-3-hydroxymethylpyridine3-hydroxymethyl-2,4-dimethylpyridineAKOS015842582AS-63302

データベース識別子

CAS: 194151-96-7
PubChem CID: 10329351
DTXSID: DTXSID501304163
EC Number: 962-785-4

物性

構造計算による物性

XLogP: 0.7
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: 10
形式電荷: 0
複雑度: 105

物理化学的性質

沸点: 267.6 · 267.6±35.0 °C(Predicted)
比重(密度): 1.063 · 1.063±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 13.74 · 13.74±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.