6-chloro-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide hydrochloride

• ChemBase编号: 284236
• 分子式: C11H16Cl2N4O
• 平均质量: 291.17694
• 单一同位素质量: 290.07011651
• SMILES: C(=O)(c1nnc(cc1)Cl)NC1CCN(CC1)C.Cl
• Canonical SMILES: CN1CCC(CC1)NC(=O)c1ccc(nn1)Cl.Cl
• InChI: InChI=1S/C11H15ClN4O.ClH/c1-16-6-4-8(5-7-16)13-11(17)9-2-3-10(12)15-14-9;/h2-3,8H,4-7H2,1H3,(H,13,17);1H
• InChIKey: JZWOGJFDGLZVQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide hydrochloride
• IUPAC传统名: 6-chloro-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide hydrochloride
• 别名: 6-chloro-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide hydrochloride

登记号

• MDL号: MFCD20502105
• PubChem SID: 180669767
• PubChem CID: 54595913

理论计算性质

• Acid pKa: 13.713155
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.758902
• LogD (pH = 7.4): -1.0020009
• Log P: 0.086998105
• 摩尔折射率: 68.6847 cm^3
• 极化性: 25.23617 Å^3
• 极化表面积: 58.12 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: 271 - 273°C
• 疏水性(logP): 0.08

产品相关信息

• 纯度: 95%