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| CAS No.: | 42182-27-4 |
|---|---|
| Name: | 2-Amino-4-cyanopyridine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H5N3 |
| Molecular Weight: | 119.126 |
| Synonyms: | Isonicotinonitrile,2-amino- (7CI);2-Amino-4-pyridinecarbonitrile;2-Aminoisonicotinonitrile;2-aminopyridine-4-carbonitrile; |
| EINECS: | -0 |
| Density: | 1.23 g/cm3 |
| Melting Point: | 146-148 °C |
| Boiling Point: | 297.7 °C at 760 mmHg |
| Flash Point: | 133.8 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-36 |
| Transport Information: | UN 3439 |
| PSA: | 62.70000 |
| LogP: | 1.11668 |
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Specification
The 2-Amino-4-cyanopyridine, with the CAS registry number 42182-27-4, has the systematic name of 2-aminopyridine-4-carbonitrile. It belongs to the following product categories: Pyridines, Pyrimidines, Purines and Pteredines; Pharmacetical; Pyridine series; Chemical Amines; Pyridine; Amines; Heterocycles. And the molecular formula of this chemical is C6H5N3. What's more, it is a pyridine derivative and used as mGluR2 antagonists, and it is also used in the treatment of CNS disorders.
The physical properties of 2-Amino-4-cyanopyridine are as following: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.26; (6)ACD/BCF (pH 7.4): 3.35; (7)ACD/KOC (pH 5.5): 80.46; (8)ACD/KOC (pH 7.4): 82.6; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 39.92 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 32.73 cm3; (15)Molar Volume: 96.3 cm3; (16)Polarizability: 12.97×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 53.76 kJ/mol; (21)Boiling Point: 297.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00133 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccnc(N)c1
(2)InChI: InChI=1/C6H5N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,(H2,8,9)
(3)InChIKey: GEEAYLFEIFJFGP-UHFFFAOYAD