Bis(4-biphenylyl)amine CAS NO.102113-98-4

1.Introduction of 102113-98-4

Bis(4-biphenylyl)amine has CAS registry number as 102113-98-4. Its synonyms are 4,4'-iminobis(biphenyl); bis(4-

1.Introduction of 102113-98-4

Bis(4-biphenylyl)amine has CAS registry number as 102113-98-4. Its synonyms are 4,4'-iminobis(biphenyl); bis(4-biphenylyl)amine; bis-biphenyl-4-yl-amine ; bis(4-biphenyl)amine; bis(1,1'-biphenyl-4-yl)amine di(biphenyl-4-yl)amine; 4,4'-iminobis(biphen; di(biphenyl-4-yl)amine; n-[1,1'-biphenyl]-4-yl-[1,1'-biphenyl]-4-mine. It is usually used as OLED materials, pharm chemical, electronic chemical.

2.Properties of 102113-98-4

ACD/LogP: 7.935
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 7.94
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 5.5): 631408.80
ACD/BCF (pH 7.4): 631418.50
ACD/KOC (pH 5.5): 493663.40
ACD/KOC (pH 7.4): 493671.00
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
Polar Surface Area: 12.03?²
Index of Refraction: 1.654
Molar Refractivity: 104.811 cm³
Molar Volume: 286.044 cm³
Polarizability: 41.55 10-24cm³
Surface Tension: 46.5940017700195 dyne/cm
Density: 1.124 g/cm³
Flash Point: 281.663 °C
Enthalpy of Vaporization: 77.702 kJ/mol
Boiling Point: 507.007 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 102113-98-4

(1)InChI: InChI=1S/C24H19N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25H
(2)InChIKey: JAUCIDPGGHZXRP-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC=CC=C4