N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine

• ChemBase编号: 173263
• 分子式: C12H23NO2
• 平均质量: 213.31652
• 单一同位素质量: 213.17287898
• SMILES: C1CC2(CCC1NC)OCC(CO2)(C)C
• Canonical SMILES: CNC1CCC2(CC1)OCC(CO2)(C)C
• InChI: InChI=1S/C12H23NO2/c1-11(2)8-14-12(15-9-11)6-4-10(13-3)5-7-12/h10,13H,4-9H2,1-3H3
• InChIKey: AGIWCGXGVSTDQF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine
• IUPAC传统名: N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine
• 别名: N,3,3-Trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine; 4-Methylamino-cyclohexanone(2',2'-dimethyltrimethylene ketal)

登记号

• CAS号: 158747-11-6
• PubChem SID: 164229173
• PubChem CID: 854050

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.518157
• LogD (pH = 7.4): -1.2434945
• Log P: 1.7189496
• 摩尔折射率: 60.2233 cm^3
• 极化性: 24.283567 Å^3
• 极化表面积: 30.49 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

• 溶解度: Acetone; Methanol

详细说明

Toronto Research Chemicals - M285940

Reagent used in the preparation of carbazole derivatives