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Basic Information
CAS No.: 6286-51-7
Name: N-[2-(cyanomethyl)-4,5-dimethoxyphenyl]acetamide
Molecular Structure:
Molecular Structure of 6286-51-7 (N-[2-(cyanomethyl)-4,5-dimethoxyphenyl]acetamide)
Formula: C12H14N2O3
Molecular Weight: 234.2512
Synonyms: NSC 10082;N-[2-(Cyanomethyl)-4, 5-dimethoxyphenyl]acetamide;
Density: 0.984 g/cm3
Boiling Point: 294.1 °C at 760 mmHg
Flash Point: 123.4 °C
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    The Acetamide, N-[2-(cyanomethyl)-4, 5-dimethoxyphenyl]-, with the CAS registry number 6286-51-7, is also known as NSC10082. This chemical's molecular formula is C12H14N2O3 and molecular weight is 234.2512. What's more, its IUPAC name is N-

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Specification

The Acetamide, N-[2-(cyanomethyl)-4, 5-dimethoxyphenyl]-, with the CAS registry number 6286-51-7, is also known as NSC10082. This chemical's molecular formula is C12H14N2O3 and molecular weight is 234.2512. What's more, its IUPAC name is N-[2-(Cyanomethyl)-4, 5-dimethoxyphenyl]acetamide.

Physical properties about Acetamide, N-[2-(cyanomethyl)-4, 5-dimethoxyphenyl]- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 59.85 cm3; (9)Molar Volume: 195.2 cm3; (10)Polarizability: 23.72×10-24 cm3; (11)Surface Tension: 35.7 dyne/cm; (12)Density: 0.984 g/cm3; (13)Flash Point: 123.4 °C; (14)Enthalpy of Vaporization: 53.38 kJ/mol; (15)Boiling Point: 294.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00165 mmHg at 25 °C.

Preparation of Acetamide, N-[2-(cyanomethyl)-4, 5-dimethoxyphenyl]-: this chemical is prepared by reaction of Acetic acid anhydride with (2-Amino-4, 5-dimethoxy-phenyl)-acetonitrile at ambient temperature. The reaction needs reagent EtiPr2N and solvent Tetrahydrofuran. The reaction time is 1 hour. The yield is about 89 %.

The Acetamide, N-[2-(cyanomethyl)-4, 5-dimethoxyphenyl]- can be obtained by Acetic acid anhydride and (2-Amino-4, 5-dimethoxy-phenyl)-acetonitrile.

You can still convert the following datas into molecular structure:
(1) SMILES: N1(/C=C\C=C/C1)CC2N(C)CCCC2
(2) InChI: InChI=1/C12H20N2/c1-13-8-6-3-7-12(13)11-14-9-4-2-5-10-14/h2,4-5,9,12H,3,6-8,10-11H2,1H3
(3) InChIKey: XLGSBMPMAZVSLO-UHFFFAOYAU