{2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine

• ChemBase编号: 284366
• 分子式: C9H15N3
• 平均质量: 165.2355
• 单一同位素质量: 165.1265975
• SMILES: c12n(cc(n1)C)CCCC2CN
• Canonical SMILES: NCC1CCCn2c1nc(c2)C
• InChI: InChI=1S/C9H15N3/c1-7-6-12-4-2-3-8(5-10)9(12)11-7/h6,8H,2-5,10H2,1H3
• InChIKey: FPUGAZVPMGBIRK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine
• IUPAC传统名: {2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine
• 别名: {2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine

登记号

• MDL号: MFCD22566102
• PubChem SID: 180669897
• PubChem CID: 71929450

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.6389165
• LogD (pH = 7.4): -2.086547
• Log P: 0.15979171
• 摩尔折射率: 48.4447 cm^3
• 极化性: 18.751259 Å^3
• 极化表面积: 43.84 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.119

产品相关信息

• 纯度: 95%