tert-butyl N-ethyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamate

• ChemBase编号: 162576
• 分子式: C14H27NO4
• 平均质量: 273.36848
• 单一同位素质量: 273.19400835
• SMILES: CC1(CCCN(CC)C(=O)OC(C)(C)C)OCCO1
• Canonical SMILES: CCN(C(=O)OC(C)(C)C)CCCC1(C)OCCO1
• InChI: InChI=1S/C14H27NO4/c1-6-15(12(16)19-13(2,3)4)9-7-8-14(5)17-10-11-18-14/h6-11H2,1-5H3
• InChIKey: PHDLJCSPXSOXAV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl N-ethyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamate
• IUPAC传统名: tert-butyl N-ethyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamate
• 别名: Ethyl[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamic Acid 1,1-Dimethylethyl Ester; N-(t-Boc)-N-ethyl-3-(2-methyl-[1,3]dioxolan-2-yl)propylamine

登记号

• CAS号: 887353-49-3
• PubChem SID: 162256711
• PubChem CID: 29974637

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.1042082
• LogD (pH = 7.4): 2.1042082
• Log P: 2.1042082
• 摩尔折射率: 73.9349 cm^3
• 极化性: 29.09987 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ether; Ethyl Acetate; THF
• 外观: Light Yellow Oil