4-(piperidin-4-yl)piperidine dihydrochloride

• ChemBase编号: 148401
• 分子式: C10H22Cl2N2
• 平均质量: 241.20108
• 单一同位素质量: 240.11600407
• SMILES: C1CNCCC1C1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H
• InChIKey: MQKBVVIPCLTENX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(piperidin-4-yl)piperidine dihydrochloride
• IUPAC传统名: 4-(piperidin-4-yl)piperidine dihydrochloride
• 别名: 4,4′-二哌啶 二盐酸盐; 4,4′-联哌啶 二盐酸盐; 4,4′-Bipiperidine dihydrochloride; 4,4′-Bipiperidyl dihydrochloride; 4,4'-Bipiperidine dihydrochloride

登记号

• CAS号: 78619-84-8
• EC号: 278-958-6
• MDL号: MFCD00005998
• Beilstein号: 3687878
• PubChem SID: 24848651; 24850894; 162242577
• PubChem CID: 12270637

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -5.9269867
• LogD (pH = 7.4): -5.0132837
• Log P: 0.5361503
• 摩尔折射率: 51.7638 cm^3
• 极化性: 20.7646 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 1 M HCl: soluble25 mg/mL, clear
• 熔点: >300 °C(lit.)

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: ≥95.0% (AT); 97%
• 级别: purum
• Empirical Formula (Hill Notation): C10H20N2 · 2HCl

详细说明

Sigma Aldrich - 180742

包装
5, 25 g in glass bottle
Application
Reactant for synthesis of: Isoreticular chemicals1 Heterocyclic amide hydraphile synthetic cation transporters2 Small molecules direct activators of Gi proteins3 Vesamicol4 Reactant for control of hydrogen bond network dimensionality in tetrachloroplatinate salts5

Sigma Aldrich - 14441

Application
Reactant for synthesis of: Isoreticular chemicals1 Heterocyclic amide hydraphile synthetic cation transporters2 Small molecules direct activators of Gi proteins3 Vesamicol4 Reactant for control of hydrogen bond network dimensionality in tetrachloroplatinate salts5