CAS 113741-01-8 2-(2-Methyl-1H-imidazol-1-yl)ethan-1-amine (HCID 3157480)

基本情報

CAS: 113741-01-8
標準SMILES: Cc1nccn1CCN
InChIKey: QKVROWZQJVDFSO-UHFFFAOYSA-N
分子式: C6H11N3
平均分子量: 125.17 g/mol
単同位体質量: 125.09529735

名称と識別子

優先名称: 2-(2-Methyl-1H-imidazol-1-yl)ethan-1-amine
IUPAC: 2-(2-methylimidazol-1-yl)ethanamine
現地名: 1-(2-アミノエチル)-2-メチル-1H-イミダゾール
英語名: 2-(2-Methyl-imidazol-1-yl)-ethylamine 2HCl
分子式: C6H11N3
分子量: 125.17

名称と別名

113741-01-82-(2-methyl-1H-imidazol-1-yl)ethan-1-amineDTXSID60390136RefChem:250861DTXCID40340997818-312-82-(2-methyl-1H-imidazol-1-yl)ethanamine2-(2-methylimidazol-1-yl)ethanamine1H-imidazole-1-ethanamine, 2-methyl-2-(2-Methyl-imidazol-1-yl)-ethylamine2-(2-METHYL-IMIDAZOL-1-YL)-ETHYLAMINE 2HCLMFCD06803453

名称をさらに表示

2-(2-メチル-1H-イミダゾール-1-イル)エチルアミン1-(2-アミノエチル)-2-メチル-1H-イミダゾール2-(2-メチルイミダゾール-1-イル)エチルアミン2-(2-メチル-1H-イミダゾール-1-イル)エタン-1-アミン1-アミノエチル-2-メチルイミダゾール2-methyl-1H-imidazol-1-ethanamine1-(2-Aminoethyl)-2-methylimidazole2-METHYL-1H-IMIDAZOLE-1-ETHYLAMINE1H-IMidazole-1-ethanaMine,2-Methyl-2-(2-Methyl-1-imidazolyl)ethylamine1-(beta-Aminoethyl)-2-methylimidazole1-(2-Aminoethyl)-2-methyl-1H-imidazole2-(2-Methyl-1H-imidazole-1-yl)ethylamine

2-(2-methylimidazolyl)ethylamine2-(2-methyl-1H-imidazol-1-yl)ethylamineSCHEMBL467176HMS1697O17ALBB-010783BBL022416SBB010245STK895682

データベース識別子

CAS: 113741-01-8
PubChem CID: 3157480
DTXSID: DTXSID60390136
EC Number: 818-312-8
Nikkaji: J441.058K

物性

構造計算による物性

XLogP: -0.6
極性表面積: 43.8 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: 2
重原子数: 9
形式電荷: 0
複雑度: 84.4

物理化学的性質

融点: 116 · 116-120 °C
沸点: 273.6 · 273.6±23.0 °C(Predicted)
比重(密度): 1.11 · 1.11±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 9.42 · 9.42±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.