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CAS No.: | 100047-36-7 |
---|---|
Name: | 4-Aminopyridine-2-carboxylic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H6N2O2 |
Molecular Weight: | 138.126 |
Synonyms: | Picolinicacid, 4-amino- (6CI); |
EINECS: | -0 |
Density: | 1.417 g/cm3 |
Melting Point: | 265 °C |
Boiling Point: | 446.3 °C at 760 mmHg |
Flash Point: | 223.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/37/38-20/21/22 |
Safety: | 50A-24/25-36/37/39 |
PSA: | 76.21000 |
LogP: | 0.94320 |
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The 4-Aminopyridine-2-carboxylic acid with CAS registry number of 100047-36-7 is also known as 2-Pyridinecarboxylicacid, 4-amino-. The IUPAC name and product name are the same. It belongs to product categories of Pyridine; Carboxylicacid; Aminoacid; Pyridines; Carboxylic Acids; API intermediates; Aromatics Compounds; Aromatics. In addition, the formula is C6H6N2O2 and the molecular weight is 138.12. This chemical is used as a synthetic intermediate and it may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Aminopyridine-2-carboxylic acid are: (1)ACD/LogP: -0.39; (2)ACD/LogD (pH 5.5): -2.89; (3)ACD/LogD (pH 7.4): -2.9; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 35.51 cm3; (13)Molar Volume: 97.4 cm3; (14)Surface Tension: 77.7 dyne/cm; (15)Density: 1.417 g/cm3; (16)Flash Point: 223.7 °C; (17)Enthalpy of Vaporization: 74.24 kJ/mol; (18)Boiling Point: 446.3 °C at 760 mmHg; (19)Vapour Pressure: 9.48E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CN=C(C=C1N)C(=O)O
2. InChI: InChI=1S/C6H6N2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H2,7,8)(H,9,10)
3. InChIKey: JRZBTJVSAANBEV-UHFFFAOYSA-N