2,4,6-Triamino-5-pyrimidinecarbonitrile supplier

Name
5-Pyrimidinecarbonitrile, 2,4,6-triamino-
EINECS
CAS No. 465531-97-9
Density 1.56 g/cm³
Solubility
Melting Point
Formula C₅H₆N₆
Boiling Point 610.3 °C at 760 mmHg
Molecular Weight 150.14100
Flash Point 322.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,6-Triamino-5-pyrimidinecarbonitrile;5-pyrimidinecarbonitrile,2,4,6-triamino;
PSA 127.63000
LogP 0.83848

2,4,6-Triamino-5-pyrimidinecarbonitrile 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).

Product Name

5-Pyrimidinecarbonitrile, 2,4,6-triamino-

2,4,6-Triamino-5-pyrimidinecarbonitrile Specification

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