tert-butyl N-methyl-N-(piperidin-4-yl)carbamate

• ChemBase编号: 66657
• 分子式: C11H22N2O2
• 平均质量: 214.30458
• 单一同位素质量: 214.16812795
• SMILES: C(=O)(N(C1CCNCC1)C)OC(C)(C)C
• Canonical SMILES: CN(C(=O)OC(C)(C)C)C1CCNCC1
• InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9/h9,12H,5-8H2,1-4H3
• InChIKey: DJJOYDXRUBOZON-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl N-methyl-N-(piperidin-4-yl)carbamate
• IUPAC传统名: tert-butyl N-methyl-N-(piperidin-4-yl)carbamate
• 别名: tert-butyl N-methyl-N-(piperidin-4-yl)carbamate; 4-N-Boc-4-N-Methyl-aminopiperidine; 4-Boc-4-methylaminopiperidine; tert-Butyl methyl(piperidin-4-yl)carbamate; tert-Butyl methyl(piperidin-4-yl)carbamate; 4-(Methylamino)piperidine, 4-BOC protected; Methyl-piperidin-4-yl-carbamic acid tert-butyl ester

登记号

• CAS号: 108612-54-0
• MDL号: MFCD02683051
• PubChem SID: 162032394
• PubChem CID: 2756806

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.486087
• LogD (pH = 7.4): -1.8011131
• Log P: 0.7340728
• 摩尔折射率: 59.8449 cm^3
• 极化性: 23.692034 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 39 - 41°C
• 疏水性(logP): 1.287

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%; 97%; 98%