4-[1-(piperidin-4-yl)ethyl]morpholine dihydrochloride

• ChemBase编号: 143930
• 分子式: C11H24Cl2N2O
• 平均质量: 271.22706
• 单一同位素质量: 270.12656876
• SMILES: CC(C1CCNCC1)N1CCOCC1.Cl.Cl
• Canonical SMILES: CC(N1CCOCC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-10(11-2-4-12-5-3-11)13-6-8-14-9-7-13;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: PIGXRVSYYHCFLU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[1-(piperidin-4-yl)ethyl]morpholine dihydrochloride
• IUPAC传统名: 4-[1-(piperidin-4-yl)ethyl]morpholine dihydrochloride
• 别名: 4-(1-Piperidin-4-ylethyl)morpholine dihydrochloride

登记号

• MDL号: MFCD13186077
• PubChem SID: 162238147
• PubChem CID: 47000641

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -5.648361
• LogD (pH = 7.4): -3.4456427
• Log P: 0.49260297
• 摩尔折射率: 58.4558 cm^3
• 极化性: 23.27968 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C11H24Cl2N2O

详细说明

Sigma Aldrich - CBR00622

Other Notes
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