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25116-00-1

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Basic Information
CAS No.: 25116-00-1
Name: N-(2-cyanophenyl)acetamide
Article Data: 27
Molecular Structure:
Molecular Structure of 25116-00-1 (N-(2-cyanophenyl)acetamide)
Formula: C9H8N2O
Molecular Weight: 160.175
Synonyms: Acetanilide,2'-cyano- (6CI,8CI);2-(Acetylamino)benzonitrile;2-Acetamidobenzonitrile;2'-Cyanoacetanilide;N-(2-Cyanophenyl)acetamide;N-(o-Cyanophenyl)acetamide;N-Acetylanthranilonitrile;NSC 73082;
Density: 1.16 g/cm3
Melting Point: 92 °C
Boiling Point: 389.1 °C at 760 mmHg
Flash Point: 189.1 °C
PSA: 52.89000
LogP: 1.58968
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Specification

The Acetamide,N-(2-cyanophenyl)-, with the CAS registry number 25116-00-1, is also known as Acetanilide, 2-cyano-. It belongs to the product categories of Anilines, Amides & Amines; Nitriles. This chemical's molecular formula is C9H8N2O and molecular weight is 160.1726. Its systematic name is called N-(2-cyanophenyl)acetamide.

Physical properties of Acetamide,N-(2-cyanophenyl)-: (1)ACD/LogP: 0.57; (2)ACD/LogD (pH 5.5): 0.57; (3)ACD/LogD (pH 7.4): 0.57; (4)ACD/BCF (pH 5.5): 1.59; (5)ACD/BCF (pH 7.4): 1.59; (6)ACD/KOC (pH 5.5): 48.6; (7)ACD/KOC (pH 7.4): 48.6; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 44.34 cm3; (13)Molar Volume: 137.7 cm3; (14)Surface Tension: 49.2 dyne/cm; (15)Density: 1.16 g/cm3; (16)Flash Point: 189.1 °C; (17)Enthalpy of Vaporization: 63.84 kJ/mol; (18)Boiling Point: 389.1 °C at 760 mmHg; (19)Vapour Pressure: 2.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1C#N)C
(2)InChI: InChI=1/C9H8N2O/c1-7(12)11-9-5-3-2-4-8(9)6-10/h2-5H,1H3,(H,11,12)
(3)InChIKey: RTGPZUVDPPNGNR-UHFFFAOYAQ