2-methoxy-4,5-dihydro-1H-imidazole

• ChemBase编号: 167634
• 分子式: C4H8N2O
• 平均质量: 100.11912
• 单一同位素质量: 100.06366289
• SMILES: N1=C(NCC1)OC
• Canonical SMILES: COC1=NCCN1
• InChI: InChI=1S/C4H8N2O/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
• InChIKey: ZJULPBMTEMGRNC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-4,5-dihydro-1H-imidazole
• IUPAC传统名: 2-methoxy-4,5-dihydro-1H-imidazole
• 别名: 4,5-Dihydro-2-methoxy-1H-imidazole, (Solution in Dichloromethane); 2-methoxy-4,5-dihydro-1h-imidazole

登记号

• CAS号: 28118-54-9
• PubChem SID: 162261767
• PubChem CID: 323188

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.8307824
• LogD (pH = 7.4): -0.34157142
• Log P: -0.044475157
• 摩尔折射率: 26.2399 cm^3
• 极化性: 9.957099 Å^3
• 极化表面积: 33.62 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C Freezer

产品相关信息

• 纯度: 98%

详细说明

Toronto Research Chemicals - D449155

A multifunctional label for use in proteomics studies that is both lysine-specific and increases the overall sequence coverage obtained in peptide mapping experiments by increasing the ionization efficiences of lysine-terminated tryptic fragments. A labe

参考文献

• Peeters, E.C., et al.: Rapid Commun. Mass Spectrum., 15, 2387 (2001)