(1,5-ジメチル-1H-ピラゾール-3-イル)メタノール

(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol

HCID 2776366CAS 153912-60-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(CO)nn1C
InChIKey: XJBMHIHXRARJJS-UHFFFAOYSA-N
分子式: C6H10N2O
平均分子量: 126.16 g/mol
単同位体質量: 126.07931294

名称と識別子

優先名称: (1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
IUPAC: (1,5-dimethylpyrazol-3-yl)methanol
現地名: (1,5-ジメチル-1H-ピラゾール-3-イル)メタノール
英語名: (1,5-Dimethyl-1H-pyrazol-3-yl)methanol
分子式: C6H10N2O
分子量: 126.16

名称と別名

153912-60-8(1,5-Dimethyl-1H-Pyrazol-3-Yl)MethanolDTXSID90380020RefChem:204378DTXCID80331046835-224-51,5-Dimethyl-1H-pyrazol-3-yl-methanol(1,5-dimethylpyrazol-3-yl)methanolMFCD036597021,5-Dimethyl-1H-pyrazole-3-methanol3-HYDROXYMETHYL-1,5-DIMETHYL-1H-PYRAZOLESCHEMBL243540

名称をさらに表示

(1,5-ジメチル-1H-ピラゾール-3-イル)メタノール(1,5‐ジメチル‐1H‐ピラゾール‐3‐イル)メタノールAKOS PAO-00601H-Pyrazole-3-methanol, 1,5-dimethyl-1,5-DIMETHYL-3-(HYDROXYMETHYL)PYRAZOLE1H-Pyrazole-3-methanol,1,5-dimethyl-(9CI)1,5-Dimethyl-3-(hydroxymethyl)-1H-pyrazole3-(Hydroxymethyl)-1,5-dimethyl-1H-pyrazole(1,5-Dimethyl-1H-pyrazol-3-yl)methanol ,97%

CHEMBL45872191,5-dimethylpyrazole-3-methanol1,5-dimethylpSCHEMBL243539orb3030342XJBMHIHXRARJJS-UHFFFAOYSA-N1,5 -dimethylpyrazole-3-methanolHMS5107O17

データベース識別子

CAS: 153912-60-8
PubChem CID: 2776366
DTXSID: DTXSID90380020
ChEMBL: CHEMBL4587219
EC Number: 835-224-5
Nikkaji: J1.343.968K

物性

構造計算による物性

XLogP: -0.2
極性表面積: 38.1 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: 97.1

物理化学的性質

融点: 50 °C · 50 °C
沸点: 118 °C · 118°C 2mm
比重(密度): 1.13 · 1.13±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 13.63 · 13.63±0.10(Predicted)

化学的性質

化学的特性White crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.