1-(2-methoxyphenyl)piperazine

• ChemBase编号: 32151
• 分子式: C11H16N2O
• 平均质量: 192.25754
• 单一同位素质量: 192.12626314
• SMILES: N1(CCNCC1)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1N1CCNCC1
• InChI: InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
• InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-methoxyphenyl)piperazine
• IUPAC传统名: 1-(2-methoxyphenyl)piperazine
• 别名: 1-(2-甲氧苯基)哌嗪; 1-(o-METHOXYPHENYL)PIPERAZINE; 1-(2-Methoxyphenyl)-piperazine; 1-(o-Methoxyphenyl)-piperazine; 1-(2-Methoxyphenyl)piperazine; 1-(o-Anisyl)piperazine; 1-(o-Methoxyphenyl)piperazine; 1-[2-(Methyloxy)phenyl]piperazine; D 15157; N-(2-Methoxyphenyl)piperazine; N-(o-Methoxyphenyl)piperazine; o-Methoxyphenylpiperazine; 1-(2-Methoxyphenyl)piperazine; 2-MPP; 1-(2-METHOXYPHENYL) PIPERAZINE; 1-(2-Methoxyphenyl)piperazine

登记号

• CAS号: 35386-24-4; 5464-78-8
• EC号: 252-537-7; 226-762-6
• MDL号: MFCD00005958
• Beilstein号: 167888
• PubChem SID: 160995458; 24883872; 24896714
• PubChem CID: 1346

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.6008211
• LogD (pH = 7.4): -0.06333706
• Log P: 1.3876901
• 摩尔折射率: 57.7052 cm^3
• 极化性: 22.153334 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Colourless to Pale Yellow Oil
• 熔点: 217 - 219°C; 35-39°C; 35-40 °C(lit.); 37-40°C
• 沸点: 110-112°C/1mm; 130-133 °C/0.1 mmHg(lit.); 130-133°C/0.1mm
• 闪点: >110°C(230°F); 110 °C; 230 °F
• 密度: 1.095 g/mL at 25 °C(lit.); 1.106
• 折射率: n20/D 1.575(lit.); n20/D 1.576
• 疏水性(logP): 1.104

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: Air Sensitive; IRRITANT
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有毒(Toxic) (T)
• 联合国危险货物编号: 3263; UN2923
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 25-34; 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: false; 否
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H314-H318; H314
• GHS警示性声明: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 3

药理学性质

• 相关基因信息: mouse ... Htr3a(15561)rat ... Adra1a(29412), Drd2(24318), Htr1a(24473), Htr2a(29595), Htr7(65032)

产品相关信息

• 纯度: ≥97.0% (NT); 95%; 97%; 98%; 98-99%
• 级别: purum
• 杂质: ≤3% water
• Empirical Formula (Hill Notation): C11H16N2O

详细说明

MP Biomedicals - 05212491

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151629

Hydrochloride
Selective 5-HT1 receptor agonist
Crystalline
Purity: 98-99%

Sigma Aldrich - M22601

包装
5, 25 g in glass bottle

Sigma Aldrich - 65225

Caution
可在室温下凝固

Toronto Research Chemicals - M266220

A piperazine derivative and a selective antagonist at D3 receptors that influences the expression of cocaine-induced conditioned place preference (CPP).

参考文献

• Byrska, B. et al.: Zagadnien Nauk Sadowych 81, 101 (2010)
• Cervo, L. et al.: Pharmacol Biochem Be 82, 727 (2005)