Name: 4'-Aminobiphenyl-3-carbonitrile
SKU: 443998-73-0

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Basic Information

Molecular Structure:
CAS No.:	443998-73-0
Name:	4'-Aminobiphenyl-3-carbonitrile
Article Data:	4

Formula:	C₁₃H₁₀N₂
Molecular Weight:	194.236
Synonyms:	(3'-Cyanobiphenyl-4-yl)amine;
Density:	1.18 g/cm³
Melting Point:	128-132 °C (lit.)
Boiling Point:	375.1 °C at 760 mmHg
Flash Point:	180.7 °C
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-39
PSA:	49.81000
LogP:	3.38868

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Specification

The 4'-Aminobiphenyl-3-carbonitrile, with the CAS registry number of 443998-73-0, is also known as (3'-Cyanobiphenyl-4-yl)amine. This chemical's molecular formula is C₁₃H₁₀N₂ and molecular weight is 194.23. What's more, its IUPAC name is 3-(4-Aminophenyl)benzonitrile.

Physical properties about 4'-Aminobiphenyl-3-carbonitrile are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 82.97; (6)ACD/BCF (pH 7.4): 85.46; (7)ACD/KOC (pH 5.5): 815.58; (8)ACD/KOC (pH 7.4): 840.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 59.64 cm³; (15)Molar Volume: 163.6 cm³; (16)Surface Tension: 58.7 dyne/cm; (17)Density: 1.18 g/cm³; (18)Flash Point: 180.7 °C; (19)Enthalpy of Vaporization: 62.26 kJ/mol; (20)Boiling Point: 375.1 °C at 760 mmHg; (21)Vapour Pressure: 7.95E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical has risk of serious damage to eyes. During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2cc(c1ccc(N)cc1)ccc2
(2) InChI: InChI=1/C13H10N2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,15H2
(3) InChIKey: CYKMHHNPZOCBKT-UHFFFAOYAE