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CAS No.: | 82846-28-4 |
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Name: | 6-(DIMETHYLAMINO)NICOTINIC ACID |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H10N2O2 |
Molecular Weight: | 166.18 |
Synonyms: | 6-(Dimethylamino)-nicotinic acid;6-dimethylaminopyridine-3-carboxylic acid;6-(Dimethylamino)nicotinic acid; |
EINECS: | 145-896-5 |
Density: | 1.247g/cm3 |
Boiling Point: | 338.131 °C at 760 mmHg |
Flash Point: | 158.296 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 53.43000 |
LogP: | 0.84580 |
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The 3-Pyridinecarboxylic acid, 6-(dimethylamino)-, with the CAS registry number 82846-28-4, belongs to the product categories Building Blocks; Pyridine. It has the IUPAC name of 6-(dimethylamino)pyridine-3-carboxylic acid. Moreover, its molecular formula is C8H10N2O2 and its molecular weight is 166.18.
Other characteristics of the 3-Pyridinecarboxylic acid, 6-(dimethylamino)- can be summarised as followings: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 53.43 Å2; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 45.588 cm3; (13)Molar Volume: 133.178 cm3; (14)Polarizability: 18.072×10-24cm3; (15)Surface Tension: 56.778 dyne/cm; (16)Density: 1.248 g/cm3; (17)Flash Point: 158.296 °C; (18)Enthalpy of Vaporization: 61.37 kJ/mol; (19)Boiling Point: 338.131 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CN(C)c1ccc(cn1)C(=O)O
2.InChI: InChI=1/C8H10N2O2/c1-10(2)7-4-3-6(5-9-7)8(11)12/h3-5H,1-2H3,(H,11,12)
3.InChIKey: XWMLEYINWKGSAC-UHFFFAOYAY