Basic information
- Name:
2-Pyridinecarboxylicacid, 4-amino-
- Superlist Name:
- 4-Aminopyridine-2-carboxylic acid
- CAS No.:
100047-36-7
- Molecular Structure:
- Formula:
- C6H6N2O2
- Molecular Weight:
- 138.12
- Synonyms:
- Picolinicacid, 4-amino- (6CI);
- Density:
- 1.417 g/cm3
- Boiling Point:
- 446.3 °C at 760 mmHg
- Flash Point:
- 223.7 °C
- Hazard Symbols:
Xi
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Specification
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
