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CAS No.: | 7418-65-7 |
---|---|
Name: | 4-Amino-3-pyridinecarboxylic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H6N2O2 |
Molecular Weight: | 138.126 |
Synonyms: | LDP75:4-Amino Nicotinic Acid;4-Amino-3-Pyridine Carboxylic Acid;4-Aminonicotinc acid;4-Amino-3-pyridinecarboxylic acid;4-Amino Nicotinic Acid;4-amino pyridine-3-carboxylic acid;4-Aminopyridine-3-carboxylicacid; |
EINECS: | -0 |
Density: | 1.417 g/cm3 |
Melting Point: | 307-312 °C |
Boiling Point: | 395.834 °C at 760 mmHg |
Flash Point: | 193.194 °C |
Appearance: | light yellow crystal |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 76.21000 |
LogP: | 0.94320 |
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The IUPAC name of 4-Aminonicotinic acid is 4-aminopyridine-3-carboxylic acid. With the CAS registry number 7418-65-7, it is also named as 3-Pyridinecarboxylic acid, 4-amino-. The product's categories are Amino Acid; Amines; Blocks; Carboxes; Pyridines; Pyridine Derivative; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Organic Acids. It is light yellow crystal which should be sealed in the container and stored in the cool and dry place.
The other characteristics of 4-Aminonicotinic acid can be summarized as: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (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: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 35.51 cm3; (13)Molar Volume: 97.467 cm3; (14)Polarizability: 14.077×10-24 cm3; (15)Surface Tension: 77.708 dyne/cm; (16)Enthalpy of Vaporization: 68.134 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 4; (20)Exact Mass: 138.042927; (21)MonoIsotopic Mass: 138.042927; (22)Topological Polar Surface Area: 76.2; (23)Heavy Atom Count: 10; (24)Complexity: 138.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cncc(c1N)C(=O)O
2. InChI:InChI=1/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
3. InChIKey:IASBMUIXBJNMDW-UHFFFAOYAP
4. Std. InChI:InChI=1S/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
5. Std. InChIKey:IASBMUIXBJNMDW-UHFFFAOYSA-N