{imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide

• ChemBase编号: 281101
• 分子式: C11H16IN3
• 平均质量: 317.16931
• 单一同位素质量: 317.03889553
• SMILES: n12c(cnc1cccc2)C[N+](C)(C)C.[I-]
• Canonical SMILES: C[N+](Cc1cnc2n1cccc2)(C)C.[I-]
• InChI: InChI=1S/C11H16N3.HI/c1-14(2,3)9-10-8-12-11-6-4-5-7-13(10)11;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
• InChIKey: VRNROAGRTRKHKT-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: {imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide
• IUPAC传统名: {imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide
• 别名: {imidazo[1,2-a]pyridin-3-ylmethyl}trimethylazanium iodide

登记号

• MDL号: MFCD09955501
• PubChem SID: 180666632
• PubChem CID: 14602276

理论计算性质

• Acid pKa: 18.332842
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -3.9176102
• LogD (pH = 7.4): -3.5499184
• Log P: -3.5413892
• 摩尔折射率: 70.2702 cm^3
• 极化性: 22.112133 Å^3
• 极化表面积: 17.3 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: 204 - 206°C
• 疏水性(logP): -3.174

产品相关信息

• 纯度: 95%