2-(ヒドロキシメチル)ピリミジン

2-Pyrimidinemethanol

HCID 2763024CAS 42839-09-8

部分構造検索類似構造を探す

基本情報

標準SMILES: OCc1ncccn1
InChIKey: HZGCZRCZOMANHK-UHFFFAOYSA-N
分子式: C5H6N2O
平均分子量: 110.11 g/mol
単同位体質量: 110.04801282

名称と識別子

優先名称: 2-Pyrimidinemethanol
IUPAC: pyrimidin-2-ylmethanol
現地名: 2-(ヒドロキシメチル)ピリミジン
英語名: 2-Pyrimidinemethanol
分子式: C5H6N2O
分子量: 110.11

名称と別名

2-PYRIMIDINEMETHANOL42839-09-8(pyrimidin-2-yl)methanolDTXSID20376673RefChem:483438DTXCID20327701824-123-1Pyrimidin-2-ylmethanol2-(Hydroxymethyl)pyrimidineMFCD067962012-(hydroxymethyl)-Pyrimidine2-Pyrimidine-methanol

名称をさらに表示

2-(ヒドロキシメチル)ピリミジン2-ピリミジンメタノールピリミジン-2-イルメタノール2-(Hydroxymethyl)pyrimidi...2-Pyrimidinemethanol ISO 9001：2015 REACH(PYRIMIDIN-2-YL)METHANOL,PURITY:95% MIN(HPLC)

2-Hydroxymethylpyrimidine2-Pyrimidinemethanol (7CI,9CI)pyrimidin-2ylmethanolPyriMidin-2-ylMetharolpyrimidin-2-yl-methanol2-pyrimidylmethyl alcoholSCHEMBL239378SCHEMBL245143

データベース識別子

CAS: 42839-09-8
PubChem CID: 2763024
DTXSID: DTXSID20376673
ChEBI: CHEBI:228278
EC Number: 824-123-1
Nikkaji: J1.928.833A

物性

構造計算による物性

XLogP: -0.6
極性表面積: 46 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: 1
重原子数: 8
形式電荷: 0
複雑度: 61

物理化学的性質

沸点: 198.2 · 198.2±23.0 °C(Predicted)
比重(密度): 1.227 · 1.227±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 100 mg/ml; PBS (pH 7.2): 10 mg/ml
外見: A crystalline solid
酸解離定数(Pka): 13.61 · 13.61±0.10(Predicted)
色: Colorless to light yellow
CAS データベース: 42839 · 42839-09-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.