2-(piperazin-1-yl)ethan-1-ol

• ChemBase编号: 69912
• 分子式: C6H14N2O
• 平均质量: 130.18816
• 单一同位素质量: 130.11061308
• SMILES: N1(CCNCC1)CCO
• Canonical SMILES: OCCN1CCNCC1
• InChI: InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
• InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(piperazin-1-yl)ethan-1-ol
• IUPAC传统名: 1-piperazineethanol
• 别名: 1-哌嗪乙醇; 2-(1-哌嗪基)乙醇; 1-(2-羟乙基)哌嗪; N-(2-羟乙基)哌嗪; 2-Piperazinoethanol; Piperazine-1-ethanol; 1-(2-Hydroxyethyl)piperazine; 2-(piperazin-1-yl)ethanol; 1-Piperazineethanol; 1-(2-Hydroxyethyl)-piperazine; N-(2-Hydroxyethyl)piperazine; 2-(Piperazin-1-yl)ethan-1-ol; 1-(2-Hydroxyethyl)piperazine 97%; N-β-HYDROXYETHYLPIPERAZINE; (β-Hydroxyethyl)piperazine; 1-(2-Hydroxyethyl)piperazine; 1-(β-Hydroxyethyl)piperazine; 2-(1-Piperazinyl)ethanol; 2-(Piperazin-1-yl)ethanol; N-(2-Hydroxyethyl)piperazine; N-(2'-Hydroxyethyl)piperazine; N-(β-Hydroxyethyl)piperazine; NSC 26884; NSC 38969; NSC 60706; 1-Piperazineethanol

登记号

• CAS号: 103-76-4
• EC号: 203-142-3
• MDL号: MFCD00005970
• Beilstein号: 104361
• PubChem SID: 24895538; 162035637
• PubChem CID: 7677

理论计算性质

• Acid pKa: 15.593101
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -4.3200088
• LogD (pH = 7.4): -2.9661326
• Log P: -1.0358609
• 摩尔折射率: 37.0358 cm^3
• 极化性: 14.724356 Å^3
• 极化表面积: 35.5 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

• 熔点: -39°C; -39°C
• 沸点: 242-246°C; 242-246°C; 246 °C(lit.)
• 闪点: 135 °C; 135°C; 135°C(275°F); 275 °F
• 密度: 1.06 g/ml; 1.060; 1.061; 1.061 g/mL at 25 °C(lit.)
• 折射率: 1.506; 1.5065; n20/D 1.506(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant/Corrosive
• RTECS编号: TL6825000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38; 38-41; R:36/37/38
• 安全公开号: 26-36/39; 26-37/39; S:20-25-26-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H318-H315
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P310-P362
• 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: 95+%; 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C6H14N2O

详细说明

MP Biomedicals - 02157446

(N-2-Piperazinoethanol)
1 ml = approx. 1.06 g

MP Biomedicals - 05213620

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H28807

包装
100, 500 g in glass bottle

Toronto Research Chemicals - P480120

1-Piperazineethanol is a hydroxyalkyl substituted pieprazine used in the preparation of pharmaceutical compounds such as neuroleptic agents.

参考文献

• Franc, Z. et al.: Ces.-Slov. Farm., 32, 326 (1983)