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Name |
5-Amino-3-pyridinecarbonitrile |
EINECS | N/A |
CAS No. | 13600-47-0 | Density | 1.23 g/cm3 |
PSA | 62.70000 | LogP | 1.11668 |
Solubility | N/A | Melting Point |
118-123℃ |
Formula | C6H5N3 | Boiling Point | 349.3 °C at 760 mmHg |
Molecular Weight | 119.126 | Flash Point | 165 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Aminonicotinonitrile; 5-aminopyridine-3-carbonitrile; |
Article Data | 2 |
The 5-Amino-3-pyridinecarbonitrile, with the CAS registry number 13600-47-0, is also known as 5-Aminonicotinonitrile and 5-aminopyridine-3-carbonitrile. This chemical's molecular formula is C6H5N3 and molecular weight is 119.12. What's more, its systematic name is called 5-Aminopyridine-3-carbonitrile.
Physical properties about 5-Amino-3-pyridinecarbonitrile are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.3; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 42.08; (8)ACD/KOC (pH 7.4): 42.15; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.7 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 32.73 cm3; (15)Molar Volume: 96.3 cm3; (16)Polarizability: 12.97×10-24 cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 165 °C; (20)Enthalpy of Vaporization: 59.37 kJ/mol; (21)Boiling Point: 349.3 °C at 760 mmHg; (22)Vapour Pressure: 4.76E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cncc(N)c1
(2) InChI: InChI=1/C6H5N3/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,8H2
(3) InChIKey: VGGLPUFUWXSMFB-UHFFFAOYAG