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| CAS No.: | 55234-58-7 |
|---|---|
| Name: | 3-AMINO-PYRIDINE-2-CARBALDEHYDE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H6N2O |
| Molecular Weight: | 122.126 |
| Synonyms: | Picolinaldehyde,3-amino- (6CI);3-Amino-2-pyridinecarboxaldehyde;3-Aminopicolinaldehyde;2-pyridinecarboxaldehyde, 3-amino-;3-aminopyridine-2-carbaldehyde;3-Aminopicolinaldehyde;3-Amino-pyridine-2-carbaldehyde; |
| Density: | 1.264 g/cm3 |
| Melting Point: | 118-120°C |
| Boiling Point: | 302.638 °C at 760 mmHg |
| Flash Point: | 136.831 °C |
| PSA: | 55.98000 |
| LogP: | 1.05750 |
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- Total:28 Page 1 of 1 1
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Specification
The 2-Pyridinecarboxaldehyde,3-amino-, with the CAS registry number 55234-58-7, has the systematic name and IUPAC name of 3-aminopyridine-2-carbaldehyde. It is a kind of green-yellow solid, and belongs to the following product categories: Pyridine; Chemical Amines; Amines; Aromatics; Heterocycles; Miscellaneous Reagents. And the molecular formula of the chemical is C6H6N2O.
The characteristics of 2-Pyridinecarboxaldehyde,3-amino- are as followings: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 45; (8)ACD/KOC (pH 7.4): 53; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 35.333 cm3; (15)Molar Volume: 96.603 cm3; (16)Polarizability: 14.007×10-24cm3; (17)Surface Tension: 63.14 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 136.831 °C; (20)Enthalpy of Vaporization: 54.287 kJ/mol; (21)Boiling Point: 302.638 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1cccnc1C=O
(2)InChI: InChI=1/C6H6N2O/c7-5-2-1-3-8-6(5)4-9/h1-4H,7H2
(3)InChIKey: QNJCRBZVUFRESB-UHFFFAOYAU