| Identification | |
| Name: | 3-Pyridinecarboxylicacid, 2-[(2,3-dimethylphenyl)amino]- |
| Synonyms: | Nicotinicacid, 2-(2,3-xylidino)- (7CI,8CI);2-(2,3-Xylidino)nicotinic acid;Nicotinicacid, 2-(2,3-dimethylanilino)-;Nixylic acid;UP 74;2-((2,3-Dimethylphenyl)amino)nicotinic Acid;3-pyridinecarboxylic acid, 2-[(2,3-dimethylphenyl)amino]-; |
| CAS: | 4394-05-2 |
| EINECS: | 224-517-8 |
| Molecular Formula: | C14H14N2O2 |
| Molecular Weight: | 242.27 |
| InChI: | InChI=1/C14H14N2O2/c1-9-5-3-7-12(10(9)2)16-13-11(14(17)18)6-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.25 g/cm3 |
| Refractive index: | 1.645 |
| Specification: |
The Nixylic acid, with the cas registry number 4394-05-2 and EINECS registry number 224-517-8, has the systematic name of 2-[(2,3-dimethylphenyl)amino]pyridine-3-carboxylic acid. And the molecular formula of the chemical is C14H14N2O2. The characteristics of this chemical are as followings: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 9.95; (6)ACD/BCF (pH 7.4): 1.58; (7)ACD/KOC (pH 5.5): 39.81; (8)ACD/KOC (pH 7.4): 6.33; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 70.29 cm3; (15)Molar Volume: 193.7 cm3; (16)Polarizability: 27.86×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 197.7 °C; (20)Enthalpy of Vaporization: 69.02 kJ/mol; (21)Boiling Point: 403.2 °C at 760 mmHg; (22)Vapour Pressure: 3.17E-07 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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