1,5-Bis[4-(Dimethylamino)Phenyl]-1,4-Pentadien-3-One
[CAS# 6673-14-9]

Identification

• Name: 1,5-Bis[4-(Dimethylamino)Phenyl]-1,4-Pentadien-3-One
• Synonyms: (1E,4E)-1,5-Bis(4-Dimethylaminophenyl)Penta-1,4-Dien-3-One; Nsc156579; 1,5-Bis(4-(Dimethylamino)Phenyl)-1,4-Pentadien-3-One
• Molecular Formula: C₂₁H₂₄N₂O
• Molecular Weight: 320.43
• CAS Registry Number: 6673-14-9
• SMILES: C1=CC(=CC=C1\C=C\C(\C=C\C2=CC=C(N(C)C)C=C2)=O)N(C)C
• InChI: 1S/C21H24N2O/c1-22(2)19-11-5-17(6-12-19)9-15-21(24)16-10-18-7-13-20(14-8-18)23(3)4/h5-16H,1-4H3/b15-9+,16-10+
• InChIKey: JWTSVUUPJIIXTO-KAVGSWPWSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 522.587°C at 760 mmHg (Cal.)
• Flash point: 228.966°C (Cal.)

References

• (1): A. V. Yakimanski, U. Kolb, G. N. Matveeva, I. G. Voigt-Martin and A. V. Tenkovtsev. The Use of Structure Analysis Methods in Combination with Semi-empirical Quantum-Chemical Calculations for the Estimation of Quadratic Nonlinear Optical Coefficients of Organic Crystals, Acta Cryst. (1997). A53, 603-614