(2E,4E)-5-[4-(diethylamino)phenyl]penta-2,4-dienal

• ChemBase编号: 167312
• 分子式: C15H19NO
• 平均质量: 229.31746
• 单一同位素质量: 229.14666423
• SMILES: c1c(ccc(c1)/C=C/C=C/C=O)N(CC)CC
• Canonical SMILES: CCN(c1ccc(cc1)/C=C/C=C/C=O)CC
• InChI: InChI=1S/C15H19NO/c1-3-16(4-2)15-11-9-14(10-12-15)8-6-5-7-13-17/h5-13H,3-4H2,1-2H3/b7-5+,8-6+
• InChIKey: LOIWDLDCDYBXOK-KQQUZDAGSA-N

名称和登记号

名称

• IUPAC标准名: (2E,4E)-5-[4-(diethylamino)phenyl]penta-2,4-dienal
• IUPAC传统名: (2E,4E)-5-[4-(diethylamino)phenyl]penta-2,4-dienal
• 别名: (2E,4E)-5-[4-(Diethylamino)phenyl]-2,4-pentadienal; (E,E)-5-[4-(Diethylamino)phenyl]penta-2,4-dienal

登记号

• CAS号: 868161-59-5
• PubChem SID: 162261445
• PubChem CID: 21953970

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.9386687
• LogD (pH = 7.4): 3.3185248
• Log P: 3.3263454
• 摩尔折射率: 76.3789 cm^3
• 极化性: 27.742188 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - D443665

(E,E)-5-[4-(Diethylamino)phenyl]penta-2,4-dienal is used in polymerization process.

参考文献

• Innocenzi, P., et al.: J. Mater Chem., 15, 3821 (2005)
• Cai, Y., et al.: Polymer, 2006, 47, 6560 (2005)