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2-Amino-4-cyanopyridine

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Name

2-Amino-4-cyanopyridine

EINECS -0
CAS No. 42182-27-4 Density 1.23 g/cm3
PSA 62.70000 LogP 1.11668
Solubility Slightly soluble in water. Melting Point 146-148 °C
Formula C6H5N3 Boiling Point 297.7 °C at 760 mmHg
Molecular Weight 119.126 Flash Point 133.8 °C
Transport Information UN 3439 Appearance N/A
Safety 26-36/37/39-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 42182-27-4 (2-Amino-4-cyanopyridine) Hazard Symbols IrritantXi
Synonyms

Isonicotinonitrile,2-amino- (7CI);2-Amino-4-pyridinecarbonitrile;2-Aminoisonicotinonitrile;2-aminopyridine-4-carbonitrile;

Article Data 9

2-Amino-4-cyanopyridine 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

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