tert-butyl N-(cyclopent-3-en-1-yl)carbamate

• ChemBase编号: 162473
• 分子式: C10H17NO2
• 平均质量: 183.24748
• 单一同位素质量: 183.12592879
• SMILES: C1=CCC(C1)NC(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CC=CC1
• InChI: InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)
• InChIKey: QPKZZWRUFCUFEI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl N-(cyclopent-3-en-1-yl)carbamate
• IUPAC传统名: tert-butyl N-(cyclopent-3-en-1-yl)carbamate
• 别名: tert-Butyl 3-cyclopentenylcarbamate; N-3-Cyclopenten-1-yl-carbamic Acid 1,1-Dimethylethyl Ester; 3-Cyclopenten-1-yl-carbamic Acid 1,1-Dimethylethyl Ester; N-1-Boc-amino-3-cyclopentene; Cyclopent-3-enyl-carbamic acid tert-butyl ester

登记号

• CAS号: 193751-54-1
• PubChem SID: 162256608
• PubChem CID: 2756764

理论计算性质

• Acid pKa: 15.097797
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.8594187
• LogD (pH = 7.4): 1.8594187
• Log P: 1.8594187
• 摩尔折射率: 52.3216 cm^3
• 极化性: 20.081154 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%

详细说明

Toronto Research Chemicals - B617700

A cyclopentenamine with a protecting group used to explore the feasibility of using small molecules to functionalize Si surfaces with primary amine groups for DNA attachment.

参考文献

• Lin, Z. et al.: Langmuir, 18, 788 (2002)