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5-Pyrimidinecarbonitrile,2,4,6-triamino- (465531-97-9)

Identification
Name:5-Pyrimidinecarbonitrile,2,4,6-triamino-
Synonyms:5-Pyrimidinecarbonitrile, 2,4,6-triamino-;2,4,6-Triamino-5-pyrimidinecarbonitrile
CAS:465531-97-9
Molecular Formula: C5H6 N6
Molecular Weight: 150.14
InChI: InChI=1/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11)
Molecular Structure: (C5H6N6) 5-Pyrimidinecarbonitrile, 2,4,6-triamino-;2,4,6-Triamino-5-pyrimidinecarbonitrile
Properties
Flash Point: 322.9°C
Boiling Point: 610.3°C at 760 mmHg
Density:1.56
Refractive index:1.715
Specification:

The cas register number of 2,4,6-Triamino-5-pyrimidinecarbonitrile is 465531-97-9. It also can be called as 5-pyrimidinecarbonitrile, 2,4,6-triamino- and the Systematic name about this chemical is 2,4,6-triaminopyrimidine-5-carbonitrile.

Physical properties about 2,4,6-Triamino-5-pyrimidinecarbonitrile are: storage temp: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.48; (5)#H bond acceptors: 6; (6)#H bond donors: 6; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 127.63Å2; (9)Index of Refraction: 1.715; (10)Molar Refractivity: 37.77 cm3; (11)Molar Volume: 96.1 cm3; (12)Surface Tension: 135.4 dyne/cm; (13)Density: 1.56 g/cm3; (14)Flash Point: 322.9 °C; (15)Enthalpy of Vaporization: 90.63 kJ/mol; (16)Boiling Point: 610.3 °C at 760 mmHg; (17)Vapour Pressure: 7.81E-15 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: C(#N)c1c(nc(nc1N)N)N
2.InChI: InChI=1/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11)
3.InChIKey: OXBKPLFFXBNIHW-UHFFFAOYAH
4.Std. InChI: InChI=1S/C5H6N6/c6-1-2-3(7)10-5(9)11-4(2)8/h(H6,7,8,9,10,11).

Flash Point: 322.9°C
Safety Data
 

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