tert-butyl 4-[(dimethylcarbamoyl)methoxy]piperidine-1-carboxylate

• ChemBase编号: 297023
• 分子式: C14H26N2O4
• 平均质量: 286.36724
• 单一同位素质量: 286.18925732
• SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)N(C)C
• Canonical SMILES: O=C(N(C)C)COC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-8-6-11(7-9-16)19-10-12(17)15(4)5/h11H,6-10H2,1-5H3
• InChIKey: JFLWCDCZNAIPOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-[(dimethylcarbamoyl)methoxy]piperidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-[(dimethylcarbamoyl)methoxy]piperidine-1-carboxylate
• 别名: 2-(1-Boc-4-哌啶氧基)-N,N-二甲基乙酰胺; tert-Butyl 4-(dimethylcarbamoylmethoxy)piperidine-1-carboxylate; 2-(1-Boc-4-piperidinyloxy)-N,N-dimethylacetamide

登记号

• MDL号: MFCD17015028
• PubChem SID: 180682554
• PubChem CID: 58002008

理论计算性质

• Acid pKa: 19.873762
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.1698935
• LogD (pH = 7.4): 0.1698935
• Log P: 0.1698935
• 摩尔折射率: 75.8642 cm^3
• 极化性: 29.641026 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 57-59°C

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 96%