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| CAS No.: | 6937-03-7 |
|---|---|
| Name: | Methyl 2-aminopyridine-4-carboxylate |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | Isonicotinicacid, 2-amino-, methyl ester (6CI,7CI,8CI);2-Amino-4-(methoxycarbonyl)pyridine;2-Amino-4-pyridinecarboxylic acid methylester;2-Aminoisonicotinic acid methyl ester;Methyl2-amino-4-pyridinecarboxylate;Methyl 2-aminoisonicotinate;NSC 40138;Methyl 2-aminopyridine-4-carboxylate; |
| EINECS: | -0 |
| Density: | 1.238 g/cm3 |
| Melting Point: | 146-148 °C |
| Boiling Point: | 296.1 °C at 760 mmHg |
| Flash Point: | 132.9 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 65.21000 |
| LogP: | 1.03160 |
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Specification
The IUPAC name of this chemical is methyl 2-aminopyridine-4-carboxylate. With the CAS registry number 6937-03-7, it is also named as 4-Pyridinecarboxylic acid, 2-amino-, methyl ester. The product's categories are esters; pyridines; API intermediates; amines; heterocycles; inhibitors. It is a nitrogen monoxide synthetase inhibitor. This chemical must be stored at normal temperature and avoid direct sunshine. It may be dangerous to the environment, so people should pay more attention to the water.
The other characteristics of Methyl 2-aminopyridine-4-carboxylate can be summarized as: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 57.34; (8)ACD/KOC (pH 7.4): 71.01; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 40.35 cm3; (14)Molar Volume: 122.8 cm3; (15)Polarizability: 15.99×10-24 cm3; (16)Surface Tension: 53.4 dyne/cm; (17)Enthalpy of Vaporization: 53.59 kJ/mol; (18)Vapour Pressure: 0.00146 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 2; (21)Exact Mass: 152.058578; (22)MonoIsotopic Mass: 152.058578; (23)Topological Polar Surface Area: 65.2; (24)Heavy Atom Count: 11; (25)Complexity: 149.
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 protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C(OC)c1ccnc(N)c1;
2. InChI: InChI=1/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9).