piperidine hydrochloride

• ChemBase编号: 76876
• 分子式: C5H12ClN
• 平均质量: 121.60848
• 单一同位素质量: 121.06582707
• SMILES: N1CCCCC1.Cl
• Canonical SMILES: C1CCCNC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
• InChIKey: VEIWYFRREFUNRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: piperidine hydrochloride
• IUPAC传统名: piperidine hydrochloride
• 别名: 哌啶 盐酸盐; 哌啶盐酸盐; Piperidine hydrochloride; Piperidine hydrochloride

登记号

• CAS号: 6091-44-7
• EC号: 228-033-8
• MDL号: MFCD00012770
• Beilstein号: 3611699
• PubChem SID: 24887579; 24898558; 162041778
• PubChem CID: 2723721

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.5751903
• LogD (pH = 7.4): -2.1490471
• Log P: 0.65748763
• 摩尔折射率: 26.8354 cm^3
• 极化性: 10.75224 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 245-248 °C(lit.); 245-248°C; 245-250 °C
• 闪点: >110°C(230°F); 113 °C; 235.4 °F
• 蒸汽压: 63.6 mmHg ( 37.8 °C)
• 蒸汽密度: 2.94 (vs air)

安全信息

• 保存注意事项: Hygroscopic; Toxic
• RTECS编号: TN0400000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 25; 25-37
• 安全公开号: 36/37/39-45; 36-45
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P264-P270-P301+P310-P321-P405-P501A; P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥99.0% (AT); 95+%; 99%
• 级别: purum
• 品质说明: crystallized
• Empirical Formula (Hill Notation): C5H11N · HCl

详细说明

Sigma Aldrich - P46105

包装
100, 500 g in glass bottle
Application
Reagent for synthesis of:
• Quinoline selenium compounds1
• Peripheral seratonin 5-HT3 receptor ligands2Reactant for synthesis of phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors3Reactant for:
• Mannich reactions4
• Asymmetric hydrogenation of quinolines5
• Chemoselective reductive amination of carbonyl compounds6

Sigma Aldrich - 80680

Application
Reagent for synthesis of:
• Quinoline selenium compounds1
• Peripheral seratonin 5-HT3 receptor ligands2Reactant for synthesis of phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors3Reactant for:
• Mannich reactions4
• Asymmetric hydrogenation of quinolines5
• Chemoselective reductive amination of carbonyl compounds6