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14068-13-4

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Basic Information
CAS No.: 14068-13-4
Name: 2-Quinoxalineacetonitrile
Article Data: 4
Molecular Structure:
Molecular Structure of 14068-13-4 (2-Quinoxalineacetonitrile)
Formula: C10H7N3
Molecular Weight: 169.1827
Synonyms: NSC 155196;2-Quinoxalin-2-ylacetonitrile;
Density: 1.242 g/cm3
Melting Point: 116-117℃
Boiling Point: 326.9 °C at 760 mmHg
Flash Point: 116.3 °C
PSA: 49.57000
LogP: 1.69588
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Specification

The 2-Quinoxalineacetonitrile is an organic compound with the formula C10H7N3. The IUPAC name of this chemical is 2-Quinoxalin-2-ylacetonitrile. The CAS registry number of this chemical is 14068-13-4. Besides, its molecular weight is 169.1827.

The physical properties of 2-Quinoxalineacetonitrile are: (1)ACD/LogP: 0.53; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 49.57 Å2; (5)Index of Refraction: 1.651; (6)Molar Refractivity: 49.74 cm3; (7)Molar Volume: 136.1 cm3; (8)Polarizability: 19.71×10-24 cm3; (9)Surface Tension: 63.3 dyne/cm; (10)Density: 1.242 g/cm3; (11)Flash Point: 116.3 °C; (12)Enthalpy of Vaporization: 56.92 kJ/mol; (13)Boiling Point: 326.9 °C at 760 mmHg; (14)Vapour Pressure: 0.000209 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1nc2ccccc2nc1
(2)InChI: InChI=1/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7H,5H2
(3)InChIKey: IYSRPUZNTHPOHK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7H,5H2
(5)Std. InChIKey: IYSRPUZNTHPOHK-UHFFFAOYSA-N