(Z)-N'-hydroxy-2-(1-propylpiperidin-4-yl)ethenimidamide

• ChemBase编号: 309870
• 分子式: C10H21N3O
• 平均质量: 199.29324
• 单一同位素质量: 199.16846231
• SMILES: N1(CCC(C/C(=N/O)/N)CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)C/C(=N/O)/N
• InChI: InChI=1S/C10H21N3O/c1-2-5-13-6-3-9(4-7-13)8-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
• InChIKey: TYYJOJLGJFSJMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-hydroxy-2-(1-propylpiperidin-4-yl)ethenimidamide
• IUPAC传统名: (Z)-N'-hydroxy-2-(1-propylpiperidin-4-yl)ethenimidamide
• 别名: (1Z)-N'-hydroxy-2-(1-propyl-4-piperidinyl)ethanimidamide

登记号

• MDL号: MFCD18917084

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.402555
• LogD (pH = 7.4): -1.7351372
• 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