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5-Amino-3-pyridinecarbonitrile

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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 Molecular Structure of 13600-47-0 (5-Amino-3-pyridinecarbonitrile) Hazard Symbols N/A
Synonyms

5-Aminonicotinonitrile; 5-aminopyridine-3-carbonitrile;

Article Data 2

5-Amino-3-pyridinecarbonitrile Specification

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

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