8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-(morpholin-4-yl)propanoate dihydrochloride

• ChemBase编号: 187998
• 分子式: C15H28Cl2N2O3
• 平均质量: 355.30042
• 单一同位素质量: 354.14769813
• SMILES: N1(C2CC(CC1CC2)OC(=O)CCN1CCOCC1)C.Cl.Cl
• Canonical SMILES: O=C(OC1CC2CCC(C1)N2C)CCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C15H26N2O3.2ClH/c1-16-12-2-3-13(16)11-14(10-12)20-15(18)4-5-17-6-8-19-9-7-17;;/h12-14H,2-11H2,1H3;2*1H
• InChIKey: YHAQFYGLGPCESZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-(morpholin-4-yl)propanoate dihydrochloride
• IUPAC传统名: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-(morpholin-4-yl)propanoate dihydrochloride

登记号

• PubChem SID: 164243908
• PubChem CID: 3042764

理论计算性质

• LogD (pH = 7.4): -1.6591281
• Log P: 0.38469684
• 摩尔折射率: 76.9482 cm^3
• 极化性: 30.690178 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -4.1177626

分子性质

产品相关信息

• 成盐信息: 2 HCl
• 分类: Rare Derivatives of Natural Compounds