piperidin-3-amine dihydrochloride

• ChemBase编号: 68560
• 分子式: C5H14Cl2N2
• 平均质量: 173.08406
• 单一同位素质量: 172.05340382
• SMILES: N1CC(CCC1)N.Cl.Cl
• Canonical SMILES: NC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H
• InChIKey: GGPNYXIOFZLNKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: piperidin-3-amine dihydrochloride
• IUPAC传统名: piperidin-3-amine dihydrochloride
• 别名: 3-氨基哌啶 二盐酸盐; 3-Aminopiperidine dihydrochloride; Piperidin-3-amine dihydrochloride; 3-Aminopiperidine dihydrochloride 97%; Piperidin-3-amine dihydrochloride; 3-Piperidinamine dihydrochloride; 3-Aminopiperidine dihydrochloride; (±)-3-Piperidinamine dihydrochloride; (±)-3-Aminopiperidine dihydrochloride

登记号

• CAS号: 138060-07-8
• MDL号: MFCD00012773
• PubChem SID: 24857652; 162034291
• PubChem CID: 16211870

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -5.5423007
• LogD (pH = 7.4): -3.3890278
• Log P: -0.5242977
• 摩尔折射率: 29.8544 cm^3
• 极化性: 12.272833 Å^3
• 极化表面积: 38.05 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: 230 °C (dec.)(lit.); 230(dec.)°C; 230°C

安全信息

• 保存注意事项: Hygroscopic; IRRITANT; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37/39; 26-37-60
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C5H12N2 · 2HCl

详细说明

Sigma Aldrich - 293369

包装
50, 250 mg in glass bottle
Application
Reactant for N-arylation of heterocyclic diamines1Reactant for synthesis of substituted quinolones with reduced phototoxic risk2