4-(piperidin-1-yl)piperidine-1-carbonyl chloride hydrochloride

• ChemBase编号: 87190
• 分子式: C11H20Cl2N2O
• 平均质量: 267.1953
• 单一同位素质量: 266.09526863
• SMILES: N1(C2CCN(CC2)C(=O)Cl)CCCCC1.Cl
• Canonical SMILES: ClC(=O)N1CCC(CC1)N1CCCCC1.Cl
• InChI: InChI=1S/C11H19ClN2O.ClH/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;/h10H,1-9H2;1H
• InChIKey: VBXXNCHZAMNCBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(piperidin-1-yl)piperidine-1-carbonyl chloride hydrochloride
• IUPAC传统名: 4-(piperidin-1-yl)piperidine-1-carbonyl chloride hydrochloride
• 别名: 1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride; 1,4'-Bipiperidine-1'-carbonyl chloride hydrochloride; 1-(Chlorocarbonyl)-4-(piperidin-1-yl)piperidine hydrochloride 85%

登记号

• CAS号: 143254-82-4
• MDL号: MFCD08445613
• PubChem SID: 162074306
• PubChem CID: 11637553

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.7528653
• LogD (pH = 7.4): -0.06031005
• Log P: 1.3009628
• 摩尔折射率: 62.5654 cm^3
• 极化性: 24.143396 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%