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CAS No.: | 27104-67-2 |
---|---|
Name: | 2-Biphenylcarbonitrile |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C15H14N2 |
Molecular Weight: | 222.29 |
Synonyms: | 2-(4-Dimethylaminophenyl)benzonitrile;4'-(Dimethylamino)biphenyl-2-carbonitrile;4'-(Dimethylamino)-1,1'-biphenyl-2-carbonitrile; |
Density: | 1.11 g/cm3 |
Melting Point: | 106-107℃ (ligroine ethyl acetate ) |
Boiling Point: | 403.9 °C at 760 mmHg |
Flash Point: | 179.8 °C |
PSA: | 23.79000 |
LogP: | 3.22528 |
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The [1,1'-Biphenyl]-2-carbonitrile, 4'-(dimethylamino)-, with the CAS registry number 27104-67-2, is also known as 4'-(Dimethylamino)biphenyl-2-carbonitrile. This chemical's molecular formula is C15H14N2 and molecular weight is 222.29. What's more, its systematic name is 2-(4-dimethylaminophenyl)benzonitrile.
Physical properties of [1,1'-Biphenyl]-2-carbonitrile, 4'-(dimethylamino)- are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 300.53; (6)ACD/BCF (pH 7.4): 320.08; (7)ACD/KOC (pH 5.5): 2029.57; (8)ACD/KOC (pH 7.4): 2161.54; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 69.16 cm3; (15)Molar Volume: 199 cm3; (16)Polarizability: 27.41×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 179.8 °C; (20)Enthalpy of Vaporization: 65.52 kJ/mol; (21)Boiling Point: 403.9 °C at 760 mmHg; (22)Vapour Pressure: 9.87E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)c1ccc(cc1)c2ccccc2C#N
(2)InChI: InChI=1S/C15H14N2/c1-17(2)14-9-7-12(8-10-14)15-6-4-3-5-13(15)11-16/h3-10H,1-2H3
(3)InChIKey: LJGRGXHTZSFRRM-UHFFFAOYSA-N