ethyl piperidine-2-carboxylate

• ChemBase编号: 70242
• 分子式: C8H15NO2
• 平均质量: 157.2102
• 单一同位素质量: 157.11027873
• SMILES: C1(CCCCN1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CCCCN1
• InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
• InChIKey: SZIKRGHFZTYTIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl piperidine-2-carboxylate
• IUPAC传统名: ethyl piperidine-2-carboxylate
• 别名: 哌啶-2-甲酸乙酯; 2-哌啶羧酸乙酯; 2-哌啶甲酸乙酯; Ethyl piperidine-2-carboxylate; 2-(Ethoxycarbonyl)piperidine; DL-Pipecolic acid ethyl ester; NSC 49360; Ethyl 2-piperidinecarboxylate; Ethyl pipecolinate; Ethyl pipecolinate; Ethyl pipecolinate; Ethyl piperidine-2-carboxylate

登记号

• CAS号: 15862-72-3
• EC号: 239-990-6
• MDL号: MFCD00005980
• Beilstein号: 81694
• PubChem SID: 24851881; 162035965
• PubChem CID: 27517

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.21326578
• LogD (pH = 7.4): 0.79555833
• Log P: 0.85012925
• 摩尔折射率: 42.183 cm^3
• 极化性: 17.03371 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 148 - 150°C
• 沸点: 216-217 °C(lit.); 216-217°C; 216-217°C
• 闪点: 114.8 °F; 46 °C; 46°C; 46°C(114°F)
• 密度: 1.006; 1.006 g/mL at 25 °C(lit.)
• 折射率: 1.456; 1.4560; n20/D 1.456(lit.)
• 疏水性(logP): 1.353

安全信息

• 保存注意事项: Flammable/Keep Cold; IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-36/37/38
• 安全公开号: 23-26-37; 26-36
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%; 95+%; 98%; 98+%
• Empirical Formula (Hill Notation): C8H15NO2

详细说明

Sigma Aldrich - 198803

包装
5, 25 g in glass bottle
Application
Reactant for: Combinatorial chemistry with hydrazones1 Swift hydroamination2 Synthesis of HCV NS5B polymerase inhibitors3 Preparation of selective androgen receptor modulators4 Decarbonylative arylation at sp3 carbon centers5 Synthesis of quinoline derivatives as selective a2C-adrenoceptor antagonists6