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CAS No.: | 24242-19-1 |
---|---|
Name: | 5-Aminonicotinic acid |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H6N2O2 |
Molecular Weight: | 138.126 |
Synonyms: | 5-aminopyridine-3-carboxylate; |
EINECS: | 625-282-8 |
Density: | 1.417 g/cm3 |
Melting Point: | 293 °C |
Boiling Point: | 436.2 °C at 760 mmHg |
Flash Point: | 217.6 °C |
Appearance: | Off-white crystal |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 36/37/39-26-36 |
PSA: | 76.21000 |
LogP: | 0.94320 |
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The IUPAC name of 5-Aminonicotinic acid is 5-aminopyridine-3-carboxylic acid. With the CAS registry number 24242-19-1, it is also named as 3-Pyridinecarboxylic acid, 5-amino-. The product's categories are Amino Acid; Amines; Blocks; Carboxes; Pyridines; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Pharmacetical; Carboxylic Acids. It is off-white crystal which should be sealed in the container and stored in the cool and dry place.
The other characteristics of 5-Aminonicotinic acid can be summarized as: (1)ACD/LogP: -0.43; (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: 42.43 ?2; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 35.51 cm3; (13)Molar Volume: 97.4 cm3; (14)Polarizability: 14.07×10-24 cm3; (15)Surface Tension: 77.7 dyne/cm; (16)Enthalpy of Vaporization: 73.01 kJ/mol; (17)Vapour Pressure: 2.21E-08 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Exact Mass: 138.042927; (20)MonoIsotopic Mass: 138.042927; (21)Topological Polar Surface Area: 76.2; (22)Heavy Atom Count: 10; (23)Complexity: 138.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also 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 protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:c1c(cncc1N)C(=O)O
2. InChI:InChI=1/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)
3. InChIKey:BYIORJAACCWFPU-UHFFFAOYAQ