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215032-19-2

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Basic Information
CAS No.: 215032-19-2
Name: 2,3,5,6-TETRAMETHYLPYRIDINE-4-CARBOXAMIDE
Molecular Structure:
Molecular Structure of 215032-19-2 (2,3,5,6-TETRAMETHYLPYRIDINE-4-CARBOXAMIDE)
Formula: C10H14N2O
Molecular Weight: 178.234
Synonyms: 2,3,5,6-TETRAMETHYLPYRIDINE-4-CARBOXAMIDE;2,3,5,6-Tetramethylisonicotinamide
Density: 1.07g/cm3
Boiling Point: 220.1 °C at 760 mmHg
Flash Point: 86.9 °C
PSA: 55.98000
LogP: 2.11440
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Specification

The 4-Pyridinecarboxamide,2,3,5,6-tetramethyl-, with CAS registry number 215032-19-2, belongs to the following product category: Pyridines. It has the systematic name of 2,3,5,6-tetramethylpyridine-4-carboxamide. Besides this, it is also called 2,3,5,6-Tetramethylisonicotinamide. And the chemical formula of this chemical is C10H14N2O.

Physical properties of 4-Pyridinecarboxamide,2,3,5,6-tetramethyl-: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 5.22; (6)ACD/BCF (pH 7.4): 8.93; (7)ACD/KOC (pH 5.5): 97.35; (8)ACD/KOC (pH 7.4): 166.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 52.57 cm3; (15)Molar Volume: 166.4 cm3; (16)Polarizability: 20.84×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 86.9 °C; (20)Enthalpy of Vaporization: 45.66 kJ/mol; (21)Boiling Point: 220.1 °C at 760 mmHg; (22)Vapour Pressure: 0.115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(c(nc(c1C)C)C)C)N
(2)InChI: InChI=1/C10H14N2O/c1-5-7(3)12-8(4)6(2)9(5)10(11)13/h1-4H3,(H2,11,13)
(3)InChIKey: NEZFZRVPCGKGCF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H14N2O/c1-5-7(3)12-8(4)6(2)9(5)10(11)13/h1-4H3,(H2,11,13)
(5)Std. InChIKey: NEZFZRVPCGKGCF-UHFFFAOYSA-N