Products Categories
CAS No.: | 712-30-1 |
---|---|
Name: | 2-AMINO-4-HYDROXY-PTERIDINE-6-CARBALDEHYDE |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C7H5N5O2 |
Molecular Weight: | 191.149 |
Synonyms: | Pterin-6-aldehyde;6-Formylpterin;2-Amino-4-hydroxy-6-formylpteridine; |
Density: | 1.94 g/cm3 |
Melting Point: | 280 °C (decomp) |
Boiling Point: | 489.1 °C at 760 mmHg |
Flash Point: | 249.6 °C |
PSA: | 114.88000 |
LogP: | 0.10130 |
What can I do for you?
Get Best Price
The 6-Pteridinecarboxaldehyde,2-amino-3,4-dihydro-4-oxo-, with the CAS registry number 712-30-1, is also known as Pterin-6-aldehyde. This chemical's molecular formula is C7H5N5O2 and molecular weight is 191.15. What's more, its IUPAC name is 2-amino-4-oxo-1H-pteridine-6-carbaldehyde.
Physical properties of 6-Pteridinecarboxaldehyde,2-amino-3,4-dihydro-4-oxo- are: (1)ACD/LogP: -2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.48; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.76 Å2; (11)Index of Refraction: 1.892; (12)Molar Refractivity: 45.53 cm3; (13)Molar Volume: 98.4 cm3; (14)Polarizability: 18.05×10-24cm3; (15)Surface Tension: 101.6 dyne/cm; (16)Density: 1.94 g/cm3; (17)Flash Point: 249.6 °C; (18)Enthalpy of Vaporization: 75.53 kJ/mol; (19)Boiling Point: 489.1 °C at 760 mmHg; (20)Vapour Pressure: 1.03E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by N-(6-formyl-4-oxo-3,4-dihydro-pteridin-2-yl)-2,2-dimethyl-propionamide by heating. This reaction will need reagent aq. hydrochloric acid and solvent dioxane with the reaction time of 0.5 hour. The yield is about 88%.
Uses of 6-Pteridinecarboxaldehyde,2-amino-3,4-dihydro-4-oxo-: it can be used to produce 2-(N,N-dimethylaminomethyleneamino)-6-formylpteridin-4(3H)-one at the temperature of 60°C. It will need solvent dimethylformamide with the reaction time of 7 min. The yield is about 93%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nc2c(nc1)N/C(=N\C2=O)N
(2)Std. InChI: InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
(3)Std. InChIKey: LLJAQDVNMGLRBD-UHFFFAOYSA-N