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Name |
4-Pyrimidinamine,5-methoxy- |
EINECS | N/A |
CAS No. | 695-86-3 | Density | 1.224 g/cm3 |
PSA | 61.03000 | LogP | 0.64860 |
Solubility | N/A | Melting Point |
118.5-119.0 °C |
Formula | C5H7N3O | Boiling Point | 264.3 °C at 760 mmHg |
Molecular Weight | 125.13 | Flash Point | 113.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrimidine,4-amino-5-methoxy- (7CI,8CI);4-Amino-5-methoxypyrimidine; |
Article Data | 7 |
The CAS register number of 4-Pyrimidinamine,5-methoxy- is 695-86-3. It also can be called as 4-Amino-5-methoxypyrimidine and the systematic name about this chemical is 5-methoxypyrimidin-4-amine. The molecular formula about this chemical is C5H7N3O and the molecular weight is 125.12858. It belongs to the following product category which includes Pyrimidine.
Physical properties about 4-Pyrimidinamine,5-methoxy- are: (1)ACD/LogP: 0.37; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 38.25 Å2; (6)Index of Refraction: 1.566; (7)Molar Refractivity: 33.35 cm3; (8)Molar Volume: 102.1 cm3; (9)Polarizability: 13.22x10-24cm3; (10)Surface Tension: 54.8 dyne/cm; (11)Density: 1.224 g/cm3; (12)Flash Point: 113.6 °C; (13)Enthalpy of Vaporization: 50.21 kJ/mol; (14)Boiling Point: 264.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00981 mmHg at 25 °C.
Uses of 4-Pyrimidinamine,5-methoxy-: it can be used to produce n-(methoxy-5 pyrimidyl-4)aminomethylenemalonate d'isopropylidene with 5-methoxymethylene-2,2-dimethyl-[1,3]dioxane-4,6-dione. This reaction will need solvent of various solvents. The reaction time is 3 hours with reaction temperature of 85 °C. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(ncnc1)N)C
(2)InChI: InChI=1/C5H7N3O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
(3)InChIKey: SEEZTIHVTBTNSZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H7N3O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
(5)Std. InChIKey: SEEZTIHVTBTNSZ-UHFFFAOYSA-N