piperidin-2-imine hydrochloride

• ChemBase编号: 82199
• 分子式: C5H11ClN2
• 平均质量: 134.60724
• 单一同位素质量: 134.06107604
• SMILES: N1C(=N)CCCC1.Cl
• Canonical SMILES: N=C1CCCCN1.Cl
• InChI: InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H
• InChIKey: ZHDTXTDHBRADLM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: piperidin-2-imine hydrochloride
• IUPAC传统名: piperidin-2-imine hydrochloride
• 别名: 2-氨基-3,4,5,6-四氢吡啶 盐酸盐; 2-亚氨基哌啶 盐酸盐; tetrahydropyridin-2(1H)-imine hydrochloride; 2-Amino-3,4,5,6-tetrahydropyridine hydrochloride; 2-Iminopiperidine hydrochloride

登记号

• CAS号: 16011-96-4
• EC号: 240-146-4
• MDL号: MFCD00006043
• PubChem SID: 24847999; 162069318
• PubChem CID: 85236

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.426731
• LogD (pH = 7.4): -2.4262009
• Log P: -0.01127912
• 摩尔折射率: 39.3309 cm^3
• 极化性: 11.0722275 Å^3
• 极化表面积: 35.88 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: 159-161 °C(lit.)

安全信息

• RTECS编号: TN0404000
• 德国WGK号: 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C5H10N2 · HCl

详细说明

Sigma Aldrich - 131172

包装
5 g in glass bottle
Application
Reactant for synthesis of: heteroaromatic compound from alkenes using ketoiodination-cyclization protocols1 HIV-1 integrase inhibitor scaffolds2 Fluorinated bicyclic heterocycles3Reactant for: Diels-Alder reactions of heterocyclic azadienes4 Condensation reactions5