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| CAS No.: | 267875-45-6 |
|---|---|
| Name: | 3-Pyridinecarboxylicacid,5,6-diamino-(9CI) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H7N3O2 |
| Molecular Weight: | 153.14 |
| Synonyms: | 5,6-Diaminonicotinic acid; |
| Density: | 1.535 g/cm3 |
| Boiling Point: | 480.297 °C at 760 mmHg |
| Flash Point: | 244.275 °C |
| PSA: | 102.23000 |
| LogP: | 1.10660 |
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Specification
The 3-Pyridinecarboxylicacid, 5,6-diamino-, with the CAS registry number 267875-45-6, is also known as 5,6-Diaminonicotinic acid. It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C6H7N3O2 and molecular weight is 153.1387. What's more, its systematic name is called 5,6-Diaminopyridine-3-carboxylic acid.
Physical properties about 3-Pyridinecarboxylicacid, 5,6-diamino- are: (1)ACD/LogP: -0.36; (2)#of Rule of 5 Violations: 1; (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: 5; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 102.23 Å2; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 39.746 cm3; (13)Molar Volume: 99.747 cm3; (14)Polarizability: 15.757×10-24 cm3; (15)Surface Tension: 99.731 dyne/cm; (16)Density: 1.535 g/cm3; (17)Flash Point: 244.275 °C; (18)Enthalpy of Vaporization: 78.452 kJ/mol; (19)Boiling Point: 480.297 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(cnc1N)C(O)=O
(2) InChI: InChI=1/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11)
(3) InChIKey: AMUTYVGRCVFCCD-UHFFFAOYAX