4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride

• ChemBase编号: 266928
• 分子式: C10H23Cl2N3
• 平均质量: 256.21572
• 单一同位素质量: 255.12690311
• SMILES: N1(CC(CCC1)C)CCCC(=N)N.Cl.Cl
• Canonical SMILES: CC1CCCN(C1)CCCC(=N)N.Cl.Cl
• InChI: InChI=1S/C10H21N3.2ClH/c1-9-4-2-6-13(8-9)7-3-5-10(11)12;;/h9H,2-8H2,1H3,(H3,11,12);2*1H
• InChIKey: DBAPAADHTWPGIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride
• IUPAC传统名: 4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride
• 别名: 4-(3-methylpiperidin-1-yl)butanimidamide dihydrochloride

登记号

• MDL号: MFCD16547528
• PubChem SID: 164322838
• PubChem CID: 47002875

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -5.214437
• LogD (pH = 7.4): -4.4156733
• Log P: 0.67205125
• 摩尔折射率: 66.557 cm^3
• 极化性: 21.813812 Å^3
• 极化表面积: 53.11 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: 209 - 211°C
• 疏水性(logP): 1.011

产品相关信息

• 纯度: 95%