1-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-2H8)piperazine

• ChemBase编号: 167137
• 分子式: C10H12Cl2N2
• 平均质量: 231.12168
• 单一同位素质量: 230.03775375
• SMILES: c1(c(cccc1N1CCNCC1)Cl)Cl
• Canonical SMILES: Clc1c(Cl)cccc1N1CCNCC1
• InChI: InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
• InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-^2H₈)piperazine
• IUPAC传统名: 1-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-^2H₈)piperazine
• 别名: 1-(2,3-Dichlorophenyl)piperazine-d8; 4-(2,3-Dichlorophenyl)piperazine-d8; DCPP-d8; N-(2,3-Dichlorophenyl)piperazine-d8

登记号

• PubChem SID: 162261270
• PubChem CID: 45038976

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.22615209
• LogD (pH = 7.4): 1.3213116
• Log P: 2.7534506
• 摩尔折射率: 60.8516 cm^3
• 极化性: 23.411781 Å^3
• 极化表面积: 15.27 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: Chloroform; Dichloromethane
• 外观: Brown Oil