{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}(2-methoxyethyl)amine dihydrochloride

• ChemBase编号: 15837
• 分子式: C18H30Cl2N2O
• 平均质量: 361.3496
• 单一同位素质量: 360.17351895
• SMILES: C1(CCN(CC1)C1Cc2c(C1)cccc2)CNCCOC.Cl.Cl
• Canonical SMILES: COCCNCC1CCN(CC1)C1Cc2c(C1)cccc2.Cl.Cl
• InChI: InChI=1S/C18H28N2O.2ClH/c1-21-11-8-19-14-15-6-9-20(10-7-15)18-12-16-4-2-3-5-17(16)13-18;;/h2-5,15,18-19H,6-14H2,1H3;2*1H
• InChIKey: FYCAPNHBPRMIBA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}(2-methoxyethyl)amine dihydrochloride
• IUPAC传统名: {[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}(2-methoxyethyl)amine dihydrochloride
• 别名: N-{[1-(2,3-Dihydro-1H-inden-2-yl)piperidin-4-yl]-methyl}-2-methoxyethanamine dihydrochloride

登记号

• MDL号: MFCD06800575
• PubChem SID: 160979144
• PubChem CID: 45075082

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.2226806
• LogD (pH = 7.4): -2.2904105
• Log P: 2.3603427
• 摩尔折射率: 88.3534 cm^3
• 极化性: 34.584457 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 6
• 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