1,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine

• ChemBase编号: 74097
• 分子式: C8H10N4
• 平均质量: 162.1918
• 单一同位素质量: 162.09054634
• SMILES: n1c(n(c2cc(cnc12)C)C)N
• Canonical SMILES: Cc1cnc2c(c1)n(C)c(n2)N
• InChI: InChI=1S/C8H10N4/c1-5-3-6-7(10-4-5)11-8(9)12(6)2/h3-4H,1-2H3,(H2,9,10,11)
• InChIKey: NEOGGGHDLGYATP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine
• IUPAC传统名: 1,6-dimethylimidazo[4,5-b]pyridin-2-amine
• 别名: 1,6-Dimethyl-1H-imidazo[4,5-b]pyridin-2-amine; DMIP; 2-Amino-1,6-dimethylimidazo[4,5-b]pyridine; 2-Amino-1,6-dimethylimidazo[4,5-B]pyridine [DMIP]

登记号

• CAS号: 132898-04-5
• MDL号: MFCD00269879
• PubChem SID: 162039016
• PubChem CID: 179898

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.5238236
• LogD (pH = 7.4): 0.949202
• Log P: 0.9592576
• 摩尔折射率: 48.496 cm^3
• 极化性: 17.747686 Å^3
• 极化表面积: 56.73 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off-White to Pale Yellow Solid
• 熔点: >265°C (dec.)

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - OR0518T

A mutagenic cogener of PHIP .

Toronto Research Chemicals - A605180

A mutagenic cogener of PHIP.

参考文献

• Knize, M.G., Felton, J.S., et al.: Carcinogenesis, 9, 2, 247 (1988)
• Sugimura, T., et al.: Mutation Research, 290, 43 (1988)
• Eisenbrand & Tang: Toxicology, 84, 1 (1993)