dimethyl({6-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

• ChemBase编号: 42487
• 分子式: C11H15N3
• 平均质量: 189.2569
• 单一同位素质量: 189.1265975
• SMILES: n12c(cnc1ccc(c2)C)CN(C)C
• Canonical SMILES: CN(Cc1cnc2n1cc(C)cc2)C
• InChI: InChI=1S/C11H15N3/c1-9-4-5-11-12-6-10(8-13(2)3)14(11)7-9/h4-7H,8H2,1-3H3
• InChIKey: UIANWMYNGANQOS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({6-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• IUPAC传统名: dimethyl({6-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• 别名: N,N-dimethyl(6-methylimidazo[1,2-a]pyridin-3-yl)methanamine; N,N-Dimethyl(6-methylimidazo[1,2-a]pyridin-3-yl)methylamine; 3-[(Dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridine; N,N-Dimethyl(6-methylimidazo[1,2-a]pyridin-3-yl)-methanamine

登记号

• MDL号: MFCD06200990
• PubChem SID: 162047250
• PubChem CID: 2764452

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.5395088
• LogD (pH = 7.4): 0.31435344
• Log P: 1.1343687
• 摩尔折射率: 59.3978 cm^3
• 极化性: 22.10579 Å^3
• 极化表面积: 20.54 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 82 - 84 °C; 82-84°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: >95%