2,6-dimethyl-4-(piperidin-4-yl)morpholine dihydrochloride

• ChemBase编号: 259400
• 分子式: C11H24Cl2N2O
• 平均质量: 271.22706
• 单一同位素质量: 270.12656876
• SMILES: N1(CC(OC(C1)C)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CC1OC(C)CN(C1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;;/h9-12H,3-8H2,1-2H3;2*1H
• InChIKey: QAECYNOAAVFDNH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dimethyl-4-(piperidin-4-yl)morpholine dihydrochloride
• IUPAC传统名: 2,6-dimethyl-4-(piperidin-4-yl)morpholine dihydrochloride
• 别名: 2,6-dimethyl-4-(piperidin-4-yl)morpholine dihydrochloride

登记号

• MDL号: MFCD08448215
• PubChem SID: 164315310
• PubChem CID: 42948939

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.3171196
• LogD (pH = 7.4): -2.4076598
• Log P: 0.44857726
• 摩尔折射率: 58.0566 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: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 309 - 311°C
• 疏水性(logP): 0.608

产品相关信息

• 纯度: 95%