(6R,8S)-8-ethyl-8-methyl-9-oxa-1,4-diazaspiro[5.5]undecane dihydrochloride

• ChemBase编号: 183187
• 分子式: C11H24Cl2N2O
• 平均质量: 271.22706
• 单一同位素质量: 270.12656876
• SMILES: [C@@]12(NCCNC2)C[C@@](OCC1)(CC)C.Cl.Cl
• Canonical SMILES: CC[C@]1(C)OCC[C@@]2(C1)CNCCN2.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11;;/h12-13H,3-9H2,1-2H3;2*1H/t10-,11+;;/m0../s1
• InChIKey: NZRKEAXVJPJZLY-IREPQIBFSA-N

名称和登记号

名称

• IUPAC标准名: (6R,8S)-8-ethyl-8-methyl-9-oxa-1,4-diazaspiro[5.5]undecane dihydrochloride
• IUPAC传统名: (6R,8S)-8-ethyl-8-methyl-9-oxa-1,4-diazaspiro[5.5]undecane dihydrochloride

登记号

• PubChem SID: 164239097
• PubChem CID: 52993292

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.0908828
• LogD (pH = 7.4): -1.9095514
• Log P: 0.37582207
• 摩尔折射率: 57.3949 cm^3
• 极化性: 23.27968 Å^3
• 极化表面积: 33.29 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

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