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

• ChemBase编号: 144394
• 分子式: C11H26Cl2N2O2
• 平均质量: 289.24234
• 单一同位素质量: 288.13713344
• SMILES: C[C@@H]1CN(C[C@@H](O1)C)C1CCNCC1.O.Cl.Cl
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1CCNCC1.O.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH.H2O/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;;;/h9-12H,3-8H2,1-2H3;2*1H;1H2/t9-,10+
• InChIKey: SYYXYSXGKAHZLU-UKNWTWPHSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 162238609
• PubChem CID: 71311079

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

产品相关信息

• Empirical Formula (Hill Notation): C11H26Cl2N2O2

详细说明

Sigma Aldrich - CBR00985

Analysis Note
may contain up to 1 eq water
Other Notes
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