1-(3-bromophenyl)piperazine

• ChemBase编号: 163027
• 分子式: C10H13BrN2
• 平均质量: 241.12762
• 单一同位素质量: 240.02621043
• SMILES: c1cc(cc(c1)N1CCNCC1)Br
• Canonical SMILES: Brc1cccc(c1)N1CCNCC1
• InChI: InChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
• InChIKey: DOYNABJKDZARLF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3-bromophenyl)piperazine
• IUPAC传统名: 1-(3-bromophenyl)piperazine
• 别名: 1-(m-Bromophenyl)piperazine Hydrochloride; 4-(3-Bromophenyl)piperazine Monohydrochloride; 1-(3-Bromophenyl)piperazine Hydrochloride; 1-(3-Bromophenyl)piperazine

登记号

• CAS号: 31197-30-5; 796856-45-6
• MDL号: MFCD03412123
• PubChem SID: 162257162
• PubChem CID: 2757154

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.6877883
• LogD (pH = 7.4): 0.8337191
• Log P: 2.3141139
• 摩尔折射率: 58.8648 cm^3
• 极化性: 22.36087 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: DMSO; Methanol
• 外观: Pale Beige Solid
• 熔点: 220-225°C (dec.)

安全信息

• 保存条件: Refrigerator

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - B686565

1-(3-Bromophenyl)piperazine is a m-bromo substituted 1-phenylpiperazine derivative that showed inhibition of serotonin-3H binding to rat brain membranes in vitro.

参考文献

• Fuller, R.W. et al.: Biochem. Pharmacol., 29, 833 (1980)
• Mokrosz, J.L. et al.: Pol. J. Oharmacol Pharm., 44, 87 (1980)