tert-butyl 4-(azidomethyl)piperidine-1-carboxylate

• ChemBase编号: 309111
• 分子式: C11H20N4O2
• 平均质量: 240.3021
• 单一同位素质量: 240.1586259
• SMILES: C(=O)(N1CCC(CC1)CN=[N+]=[N-])OC(C)(C)C
• Canonical SMILES: [N-]=[N+]=NCC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)15-6-4-9(5-7-15)8-13-14-12/h9H,4-8H2,1-3H3
• InChIKey: BFPSPDBWZJTTOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-(azidomethyl)piperidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-(azidomethyl)piperidine-1-carboxylate
• 别名: tert-butyl 4-(azidomethyl)piperidine-1-carboxylate

登记号

• CAS号: 325290-50-4
• MDL号: MFCD14702875

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5752738
• LogD (pH = 7.4): 1.5752738
• Log P: 1.6893194
• 摩尔折射率: 64.5233 cm^3
• 极化性: 24.472393 Å^3
• 极化表面积: 58.97 Å^2