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Basic Information
CAS No.: 6329-24-4
Name: N-(1-Cyanonaphthalen-2-yl)acetamide
Article Data: 3
Molecular Structure:
Molecular Structure of 6329-24-4 (N-(1-Cyanonaphthalen-2-yl)acetamide)
Formula: C13H10N2O
Molecular Weight: 210.2313
Synonyms: Acetamide, N-(1-cyano-2-naphthalenyl)-;N-(1-cyano-2-naphthyl)acetamide;
Density: 1.22 g/cm3
Boiling Point: 486.7 °C at 760 mmHg
Flash Point: 248.1 °C
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Specification

This chemical is called N-(1-Cyanonaphthalen-2-yl)acetamide, and it can also be named as Acetamide, N-(1-cyano-2-naphthalenyl)-. With the molecular formula of C13H10N2O, its molecular weight is 210.2313. The CAS registry number of this chemical is 6329-24-4, and its systematic name is N-(1-cyanonaphthalen-2-yl)acetamide.

Other characteristics of the N-(1-Cyanonaphthalen-2-yl)acetamide can be summarised as followings: (1)(1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.74; (6)ACD/BCF (pH 7.4): 13.74; (7)ACD/KOC (pH 5.5): 227.05; (8)ACD/KOC (pH 7.4): 227.05; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 61.89 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 24.53×10-24 cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 248.1 °C; (20)Enthalpy of Vaporization: 75.25 kJ/mol; (21)Boiling Point: 486.7 °C at 760 mmHg; (22)Vapour Pressure: 1.27E-09 mmHg at 25°C.

Production method of this chemical: The N-(1-Cyanonaphthalen-2-yl)acetamide could be obtained by the reactants of acetic acid anhydride and potassium salt of 1,1-Dicyano-2-hydroxy-2-(1-cyano-2-naphthylamino)ethylene. This reaction needs the solvent of acetic acid. The yield is 36 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

The N-(1-cyanonaphthalen-2-yl)acetamide could be obtained by the reactants of acetic acid anhydride and potassium salt of 1,1-dicyano-2-hydroxy-2-(1-cyano-2-naphthylamino)ethylene.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1c2c(ccc1NC(=O)C)cccc2
2.InChI: InChI=1/C13H10N2O/c1-9(16)15-13-7-6-10-4-2-3-5-11(10)12(13)8-14/h2-7H,1H3,(H,15,16)
3.InChIKey: FDTWGIMHPCGOJX-UHFFFAOYAA