[(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine dihydrochloride

• ChemBase编号: 15833
• 分子式: C15H26Cl2N2
• 平均质量: 305.28634
• 单一同位素质量: 304.1473042
• SMILES: C1(CCN(CC1)C)CNCCc1ccccc1.Cl.Cl
• Canonical SMILES: CN1CCC(CC1)CNCCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C15H24N2.2ClH/c1-17-11-8-15(9-12-17)13-16-10-7-14-5-3-2-4-6-14;;/h2-6,15-16H,7-13H2,1H3;2*1H
• InChIKey: ILGXYIUXABZXGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine dihydrochloride
• IUPAC传统名: [(1-methylpiperidin-4-yl)methyl](2-phenylethyl)amine dihydrochloride
• 别名: N-[(1-Methylpiperidin-4-yl)methyl]-2-phenylethanamine dihydrochloride

登记号

• MDL号: MFCD06801082
• PubChem SID: 160979140
• PubChem CID: 45075077

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -4.2702813
• LogD (pH = 7.4): -2.5164454
• Log P: 2.3076627
• 摩尔折射率: 74.3301 cm^3
• 极化性: 29.216145 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false