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CAS No.: | 3270-97-1 |
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Name: | 2,6-DIAMINO-4-METHOXY PYRIMIDINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C5H8N4O |
Molecular Weight: | 140.14 |
Synonyms: | Pyrimidine,2,4-diamino-6-methoxy- (6CI,7CI,8CI);2,4-Diamino-6-methoxypyrimidine; |
Density: | 1.341g/cm3 |
Melting Point: | 162.0 to 166.0 °C |
Boiling Point: | 429.4 °C at 760 mmHg |
Flash Point: | 213.5 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 87.05000 |
LogP: | 0.81200 |
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The cas register number of 2,6-Diamino-4-methoxypyrimidine is 3270-97-1. It also can be called as 2,4-Pyrimidinediamine,6-methoxy- and the Systematic name about this chemical is 6-methoxypyrimidine-2,4-diamine. It belongs to the Pyrimidine.
Physical properties about 2,6-Diamino-4-methoxypyrimidine are: (1)ACD/LogP: -0.74; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.29; (5)ACD/KOC (pH 7.4): 9.3; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 41.49Å2; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 37.58 cm3; (12)Molar Volume: 104.4 cm3; (13)Polarizability: 14.9x0-24cm3; (14)Surface Tension: 71.6 dyne/cm; (15)Enthalpy of Vaporization: 68.46 kJ/mol; (16)Boiling Point: 429.4 °C at 760 mmHg; (17)Vapour Pressure: 1.41E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(nc(N)c1)N)C
(2)InChI: InChI=1/C5H8N4O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H4,6,7,8,9)
(3)InChIKey: OSBMJXWHJWWZJP-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H8N4O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H4,6,7,8,9)
(5)Std. InChIKey: OSBMJXWHJWWZJP-UHFFFAOYSA-N