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Benzenamine,4-[2-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]ethenyl]-N,N-diethyl- (57609-72-0)

Identification
Name:Benzenamine,4-[2-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]ethenyl]-N,N-diethyl-
Synonyms:1-Phenyl-3-(p-diethylaminostyryl)-5-(p-diethylaminophenyl)-2-pyrazoline;1-Phenyl-3-p-diethylaminostyryl-5-p-diethylphenylpyrazoline;ASPP;DEASP;
CAS:57609-72-0
EINECS: 260-848-4
Molecular Formula: C31H38N4
Molecular Weight: 466.67
InChI: InChI=1/C31H38N4/c1-5-33(6-2)28-20-15-25(16-21-28)14-19-27-24-31(35(32-27)30-12-10-9-11-13-30)26-17-22-29(23-18-26)34(7-3)8-4/h9-23,31H,5-8,24H2,1-4H3/b19-14-
Molecular Structure: (C31H38N4) 1-Phenyl-3-(p-diethylaminostyryl)-5-(p-diethylaminophenyl)-2-pyrazoline;1-Phenyl-3-p-diethylaminosty...
Properties
Melting Point: 157-161 ºC
Density:1.03 g/cm3
Refractive index:1.577
Appearance:YELLOW POWDER
Specification:

The CAS register number of 4-[2-[5-[4-(Diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline is 57609-72-0. It also can be called as Benzenamine, 4-(2-(5-(4-(diethylamino)phenyl)-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl)ethenyl)-N,N-diethyl- and the systematic name about this chemical is 4-[(Z)-2-[3-[4-(diethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]ethenyl]-N,N-diethylaniline.

Physical properties about 4-[2-[5-[4-(Diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline are: (1)ACD/LogP: 7.52 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 5.28 ; (4)ACD/LogD (pH 7.4): 7.38 ; (5)ACD/BCF (pH 5.5): 1748.68; (6)ACD/BCF (pH 7.4): 221403.42; (7)ACD/KOC (pH 5.5): 1682.81; (8)ACD/KOC (pH 7.4): 213063.64; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 22.08Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 149.4 cm3; (15)Molar Volume: 450.6 cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.03 g/cm3; (18)Flash Point: 333.8 °C; (19)Enthalpy of Vaporization: 92.96 kJ/mol; (20)Boiling Point: 628.3 °C at 760 mmHg; (21)Vapour Pressure: 1.07E-15 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: N\3=C(/C=C\c1ccc(N(CC)CC)cc1)CC(c2ccc(N(CC)CC)cc2)N/3c4ccccc4
2.InChI: InChI=1/C31H38N4/c1-5-33(6-2)28-20-15-25(16-21-28)14-19-27-24-31(35(32-27)30-12-10-9-11-13-30)26-17-22-29(23-18-26)34(7-3)8-4/h9-23,31H,5-8,24H2,1-4H3/b19-14- 
3.InChIKey: BZKRKPGZABEOSM-RGEXLXHIBH
4.Std. InChI: InChI=1S/C31H38N4/c1-5-33(6-2)28-20-15-25(16-21-28)14-19-27-24-31(35(32-27)30-12-10-9-11-13-30)26-17-22-29(23-18-26)34(7-3)8-4/h9-23,31H,5-8,24H2,1-4H3/b19-14-

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