(Z)-N'-hydroxy-4-(4-methylpiperidin-1-yl)butimidamide

• ChemBase编号: 265967
• 分子式: C10H21N3O
• 平均质量: 199.29324
• 单一同位素质量: 199.16846231
• SMILES: N1(CCC(CC1)C)CCC/C(=N/O)/N
• Canonical SMILES: CC1CCN(CC1)CCC/C(=N/O)/N
• InChI: InChI=1S/C10H21N3O/c1-9-4-7-13(8-5-9)6-2-3-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
• InChIKey: VLUDAIUIUQFXCX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-4-(4-methylpiperidin-1-yl)butimidamide
• IUPAC传统名: (Z)-N'-hydroxy-4-(4-methylpiperidin-1-yl)butimidamide
• 别名: N'-hydroxy-4-(4-methylpiperidin-1-yl)butanimidamide

登记号

• MDL号: MFCD09936637
• PubChem SID: 164321877
• PubChem CID: 24697862

理论计算性质

• Acid pKa: 12.169677
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.453552
• LogD (pH = 7.4): -1.8023758
• Log P: 0.5909158
• 摩尔折射率: 57.9837 cm^3
• 极化性: 22.500568 Å^3
• 极化表面积: 61.85 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 98 - 100°C
• 疏水性(logP): 1.703

产品相关信息

• 纯度: 95%