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CAS No.: | 54296-25-2 |
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Name: | 4-CYANO-4'-N-PROPYL-P-TERPHENYL |
Molecular Structure: | |
Formula: | C22H19N |
Molecular Weight: | 297.4 |
Synonyms: | 4-Cyano-4'-N-propyL-p-terphenyl;3-Phenyl-4-(4-propylphenyl)benzonitrile;3CT;4''-Propyl-4,1':4',1''-terbenzene-1-carbonitrile;4-cyano-4'-propylterphenyl;4''-N-Propyl-1,1':4',1''-terphenyl-4-carbonitrile; |
Density: | 1.11 g/cm3 |
Boiling Point: | 429.289 °C at 760 mmHg |
Flash Point: | 214.889 °C |
PSA: | 23.79000 |
LogP: | 5.84478 |
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The [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-propyl-, with the CAS registry number 54296-25-2, is also known as 4-Cyano-4'-N-propyL-p-terphenyl. This chemical's molecular formula is C22H19N and molecular weight is 297.39. What's more, its systematic name is 3-Phenyl-4-(4-propylphenyl)benzonitrile.
Physical properties of [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-propyl- are: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.03; (4)ACD/LogD (pH 7.4): 6.03; (5)ACD/BCF (pH 5.5): 22549.406; (6)ACD/BCF (pH 7.4): 22549.406; (7)ACD/KOC (pH 5.5): 45452.719; (8)ACD/KOC (pH 7.4): 45452.719; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 94.617 cm3; (15)Molar Volume: 267.819 cm3; (16)Polarizability: 37.509×10-24 cm3; (17)Surface Tension: 50.956 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 214.889 °C; (20)Enthalpy of Vaporization: 68.456 kJ/mol; (21)Boiling Point: 429.289 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1ccc(cc1)c2ccc(cc2c3ccccc3)C#N
(2)InChI: InChI=1S/C22H19N/c1-2-6-17-9-12-20(13-10-17)21-14-11-18(16-23)15-22(21)19-7-4-3-5-8-19/h3-5,7-15H,2,6H2,1H3
(3)InChIKey: SAUPYENJWJPYRC-UHFFFAOYSA-N