ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride

• ChemBase编号: 101353
• 分子式: C9H15Cl2N3O2
• 平均质量: 268.1403
• 单一同位素质量: 267.0541321
• SMILES: c1(nc2n(c1)CCNC2)C(=O)OCC.Cl.Cl
• Canonical SMILES: CCOC(=O)c1cn2c(n1)CNCC2.Cl.Cl
• InChI: InChI=1S/C9H13N3O2.2ClH/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;;/h6,10H,2-5H2,1H3;2*1H
• InChIKey: UVYMXIAFTVXRIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride
• IUPAC传统名: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride
• 别名: ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride 0.5 hydrate

登记号

• CAS号: 623564-18-1
• MDL号: MFCD09064970
• PubChem SID: 162088830
• PubChem CID: 24229538

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.2659475
• LogD (pH = 7.4): -0.0202246
• Log P: 0.08457744
• 摩尔折射率: 50.9174 cm^3
• 极化性: 19.691925 Å^3
• 极化表面积: 56.15 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%