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CAS No.: | 2683-49-0 |
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Name: | 4-Aminopyridine-2,6-dicarboxylic acid |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H6N2O4 |
Molecular Weight: | 182.136 |
Synonyms: | 4-Aminodipicolinicacid;4-Aminopyridine-2,6-dicarboxylic acid;Acide 4-aminopyridine-2,6-dicarboxylique; |
Density: | 1.656 g/cm3 |
Boiling Point: | 618.917 °C at 760 mmHg |
Flash Point: | 328.109 °C |
PSA: | 113.51000 |
LogP: | 0.64140 |
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The 2,6-Pyridinedicarboxylicacid, 4-amino-, with the CAS registry number 2683-49-0, is also known as Acide 4-aminopyridine-2,6-dicarboxylique. This chemical's molecular formula is C7H6N2O4 and molecular weight is 182.13. What's more, its systematic name is 4-aminopyridine-2,6-dicarboxylic acid.
Physical properties of 2,6-Pyridinedicarboxylicacid, 4-amino- are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 113.51 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 42.44 cm3; (15)Molar Volume: 109.996 cm3; (16)Polarizability: 16.825×10-24cm3; (17)Surface Tension: 104.288 dyne/cm; (18)Density: 1.656 g/cm3; (19)Flash Point: 328.109 °C; (20)Enthalpy of Vaporization: 96.458 kJ/mol; (21)Boiling Point: 618.917 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(nc(c1)C(=O)O)C(O)=O
(2)InChI: InChI=1S/C7H6N2O4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H2,8,9)(H,10,11)(H,12,13)
(3)InChIKey: IHEBMGYEECNNJH-UHFFFAOYSA-N