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