5-Amino-3-pyridinecarbonitrile supplier

Name
5-Amino-3-pyridinecarbonitrile
EINECS
CAS No. 13600-47-0
Article Data2
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point 118-123℃
Formula C₆H₅N₃
Boiling Point 349.3 °C at 760 mmHg
Molecular Weight 119.126
Flash Point 165 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Aminonicotinonitrile; 5-aminopyridine-3-carbonitrile;
PSA 62.70000
LogP 1.11668

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^-24cm³; (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

Product Name

5-Amino-3-pyridinecarbonitrile

5-Amino-3-pyridinecarbonitrile Specification

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