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| CAS No.: | 332884-35-2 |
|---|---|
| Name: | 2-AMINO-6-PYRIDINE CARBOXALDEHYDE |
| Molecular Structure: | |
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| Formula: | C6H6N2O |
| Molecular Weight: | 122.12 |
| Synonyms: | 6-Aminopyridine-2-carbaldehyde;2-Amino-6-pyridinecarboxaldehyde;2-Aminopyridine-6-carboxaldehyde; |
| Density: | 1.264 g/cm3 |
| Boiling Point: | 272.2 °C at 760 mmHg |
| Flash Point: | 118.4 °C |
| PSA: | 55.98000 |
| LogP: | 1.05750 |
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Specification
The 2-Pyridinecarboxaldehyde,6-amino-, with the CAS registry number 332884-35-2, is also known as 2-Amino-6-pyridinecarboxaldehyde. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H6N2O and molecular weight is 122.12. What's more, its IUPAC name is 6-aminopyridine-2-carbaldehyde.
Physical properties of 2-Pyridinecarboxaldehyde,6-amino- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.71; (6)ACD/BCF (pH 7.4): 1.8; (7)ACD/KOC (pH 5.5): 50.27; (8)ACD/KOC (pH 7.4): 52.98; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 35.33 cm3; (15)Molar Volume: 96.6 cm3; (16)Surface Tension: 63.1 dyne/cm; (17)Density: 1.264 g/cm3; (18)Flash Point: 118.4 °C; (19)Enthalpy of Vaporization: 51.05 kJ/mol; (20)Boiling Point: 272.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00616 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC(=C1)N)C=O
(2)InChI: InChI=1S/C6H6N2O/c7-6-3-1-2-5(4-9)8-6/h1-4H,(H2,7,8)
(3)InChIKey: PXYOOBSFOBZSBX-UHFFFAOYSA-N