1,4-dibenzylpiperazine

• ChemBase编号: 126959
• 分子式: C18H22N2
• 平均质量: 266.38068
• 单一同位素质量: 266.17829871
• SMILES: C1CN(CCN1Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2
• InChIKey: YPUGLZQRXQQCSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-dibenzylpiperazine
• IUPAC传统名: dibenzylpiperazine
• 别名: DBZP; Dibenzylpiperazine; 1,4-Bis(phenylmethyl)piperazine Hydrochloride; N,N'-Dibenzylpiperazine Dihydrochloride; 1,4-Dibenzylpiperazine Dihydrochloride; 1,4-dibenzylpiperazine

登记号

• CAS号: 2298-55-7
• MDL号: MFCD00168270
• PubChem SID: 162221285
• PubChem CID: 200601
• Chemspider ID: 173653
• 维基百科标题: Dibenzylpiperazine

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.62665856
• LogD (pH = 7.4): 2.3821769
• Log P: 3.4862354
• 摩尔折射率: 85.2634 cm^3
• 极化性: 33.394104 Å^3
• 极化表面积: 6.48 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: 89 - 91°C
• 疏水性(logP): 4.172

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - D417880

1,4-Dibenzylpiperazine is a common impurity produced as a reaction byproduct during the synthesis of Benzylpiperazine (BZP) (B288610). This product is intended for forensic applications.

参考文献

• Lanyi, K., et al.: Arzneim.-Forsch., 18, 1431 (1968)