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2-Pyridinecarbonitrile,4-amino- (98139-15-2)

Identification
Name:2-Pyridinecarbonitrile,4-amino-
Synonyms:Picolinonitrile,4-amino- (6CI);2-Cyanopyridin-4-amine;4-Aminopyridine-2-carbonitrile;
CAS:98139-15-2
Molecular Formula: C6H5N3
Molecular Weight: 0
InChI: InChI=1/C6H5N3/c7-4-6-3-5(8)1-2-9-6/h1-3H,(H2,8,9)
Molecular Structure: (C6H5N3) Picolinonitrile,4-amino- (6CI);2-Cyanopyridin-4-amine;4-Aminopyridine-2-carbonitrile;
Properties
Density:1.23 g/cm3
Refractive index:1.594
Specification:

The 4-Aminopyridine-2-carbonitrile is an organic compound with the formula C6H5N3. The systematic name of this chemical is 4-aminopyridine-2-carbonitrile. With the CAS registry number 98139-15-2, it is also named as 2-pyridinecarbonitrile, 4-amino-. The product's categories are Pyridine; Pyridine Series; Pyridines.

Physical properties about 4-Aminopyridine-2-carbonitrile are: (1)ACD/LogP: 0.74; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.74; (4)ACD/BCF (pH 5.5): 2.11; (5)ACD/BCF (pH 7.4): 2.16; (6)ACD/KOC (pH 5.5): 59.02; (7)ACD/KOC (pH 7.4): 60.37; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 62.7 Å2; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 32.73 cm3; (14)Molar Volume: 96.3 cm3; (15)Polarizability: 12.97×10-24cm3; (16)Surface Tension: 67.8 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 176.5 °C; (19)Enthalpy of Vaporization: 61.49 kJ/mol; (20)Boiling Point: 368.2 °C at 760 mmHg; (21)Vapour Pressure: 1.29E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccnc(C#N)c1
(2)InChI: InChI=1/C6H5N3/c7-4-6-3-5(8)1-2-9-6/h1-3H,(H2,8,9)
(3)InChIKey: GMKRESMCPMIWGU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H5N3/c7-4-6-3-5(8)1-2-9-6/h1-3H,(H2,8,9)
(5)Std. InChIKey: GMKRESMCPMIWGU-UHFFFAOYSA-N

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