(2R)-1-(1H-imidazol-4-yl)propan-2-amine

• ChemBase编号: 173771
• 分子式: C6H11N3
• 平均质量: 125.17164
• 单一同位素质量: 125.09529737
• SMILES: [nH]1cc(nc1)C[C@H](N)C
• Canonical SMILES: C[C@H](Cc1c[nH]cn1)N
• InChI: InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
• InChIKey: XNQIOISZPFVUFG-RXMQYKEDSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-1-(1H-imidazol-4-yl)propan-2-amine
• IUPAC传统名: (2R)-1-(1H-imidazol-4-yl)propan-2-amine
• 别名: (αR)-α-Methyl-1H-imidazole-4-ethanamine Dihydrochloride; R(-)-α-Methyl-1H-imidazole-5-ethanamine Dihydrochloride; R(-)-α-Methyl Histamine Dihydrochloride

登记号

• CAS号: 75614-89-0
• PubChem SID: 164229681
• PubChem CID: 156615

理论计算性质

• Acid pKa: 14.423421
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.923475
• LogD (pH = 7.4): -2.6216805
• Log P: -0.2843961
• 摩尔折射率: 36.0822 cm^3
• 极化性: 14.113712 Å^3
• 极化表面积: 54.7 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - M311990

Potent, selective H3 histamine receptor agonist which crosses the blood-brain barrier; inhibits histamine synthesis and release.

参考文献

• Tallarida, R., et al.: Pain, 49, 93 (1992)
• McLeod, R., et al.: J. Pharmacol. Exp. Ther., 287, 43 (1992)
• Amano, R., et al.: Neurosci. Res., 41, 201 (1992)
• Cannon, K., et al.: Eur. J. Pharmacol., 470, 139 (1992)