1-(pyridin-2-yl)piperazine

• ChemBase编号: 91267
• 分子式: C9H13N3
• 平均质量: 163.21962
• 单一同位素质量: 163.11094743
• SMILES: N1(c2ccccn2)CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
• InChIKey: GZRKXKUVVPSREJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(pyridin-2-yl)piperazine
• IUPAC传统名: pyridinylpiperazine
• 别名: 2-哌嗪吡啶; 1-(2-吡啶基)哌嗪; 2-Piperazinopyridine; 1-(2-Pyridyl)piperazine; Pyridinylpiperazine; 2-(Piperazin-1-yl)pyridine; 1-(Pyridin-2-yl)piperazine 98%; 2-(1-Piperazinyl)pyridine; 1-(Pyridin-2-yl)piperazine; 2-Pyridylpiperazine; 4-(2-Pyridinyl)piperazine; 4-(2-Pyridyl)piperazine; N-(2-Pyridyl)piperazine; N-Pyridin-2-ylpiperazine; NSC 137781; NSC 26624; 1-(2-Pyridyl)piperazine; 1-pyridin-2-ylpiperazine; 1-(Pyridin-2-yl)piperazine

登记号

• CAS号: 34803-66-2; 129394-11-2
• EC号: 252-220-3
• MDL号: MFCD00006216
• Beilstein号: 140423
• PubChem SID: 24865508; 162077971; 24849108
• PubChem CID: 94459
• CHEMBL: 18094
• Chemspider ID: 85244
• 维基百科标题: Pyridinylpiperazine

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.0973194
• LogD (pH = 7.4): -0.48023257
• Log P: 0.92214644
• 摩尔折射率: 49.3986 cm^3
• 极化性: 18.734665 Å^3
• 极化表面积: 28.16 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; Methanol
• 外观: Clear Colourless Oil
• 沸点: 120-122 °C/2 mmHg(lit.); 120-122°C/2mm; 120-122°C/2mm
• 闪点: >110°C; >110°C(230°F); 110 °C; 230 °F
• 密度: 1.072; 1.072 g/mL at 25 °C(lit.)
• 折射率: 1.595; 1.5950; n20/D 1.595(lit.)

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Air Sensitive; Irritant/Air Sensitive/Store under Argon
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN2735
• 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): III
• 危险公开号: 34; 36/37/38
• 安全公开号: 26-36; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H314-H318; H315-H319-H335
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥99.5%; 98%; 99%
• Empirical Formula (Hill Notation): C9H13N3

详细说明

Sigma Aldrich - 151270

包装
5, 25 g in glass bottle

Sigma Aldrich - 408166

包装
5, 25 mL in glass bottle

Toronto Research Chemicals - P995725

1-(2-Pyridyl)piperazine is a compound that belongs to a class of selective α2-adrenoceptor antagonists. 1-(2-Pyridyl)piperazine shows sympatholytic activity. 1-(2-Pyridyl)piperazine is also a metabolite of Azaperone (A802200).

参考文献

• Saari, W.S. et al.: J. Med. Chem., 26, 1696 (1983)
• Caccia, S. et al.: J. Chrom., 283, 211 (1983)