4(3H)-Pyrimidinone,2,5-diethoxy- supplier

Name
2,5-DIETHOXY-4(1H)-PYRIMIDINONE
EINECS
CAS No. 55996-26-4
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂O₃
Boiling Point 323.5 °C at 760 mmHg
Molecular Weight 184.19
Flash Point 149.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,2,5-diethoxy- (9CI);
PSA 64.21000
LogP 0.56730

4(3H)-Pyrimidinone,2,5-diethoxy- Specification

The 4(3H)-Pyrimidinone,2,5-diethoxy-, with the CAS registry number 55996-26-4, is also known as 2,5-Diethoxy-4-hydroxypyrimidine. This chemical's molecular formula is C₈H₁₂N₂O₃ and molecular weight is 184.19. What's more, its systematic name is called 2,5-Diethoxypyrimidin-4(3H)-one.

Physical properties about 4(3H)-Pyrimidinone,2,5-diethoxy- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 2.18; (6)ACD/BCF (pH 7.4): 1.35; (7)ACD/KOC (pH 5.5): 60.71; (8)ACD/KOC (pH 7.4): 37.64; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.13 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 46.23 cm³; (15)Molar Volume: 150.7 cm³; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.22 g/cm³; (18)Flash Point: 149.4 °C; (19)Enthalpy of Vaporization: 58.79 kJ/mol; (20)Boiling Point: 323.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000139 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(/OCC)=C\N=C(\OCC)N1
(2) InChI: InChI=1/C8H12N2O3/c1-3-12-6-5-9-8(13-4-2)10-7(6)11/h5H,3-4H2,1-2H3,(H,9,10,11)
(3) InChIKey: XVZTZMOUGLUOFC-UHFFFAOYAO

Product Name

2,5-DIETHOXY-4(1H)-PYRIMIDINONE

4(3H)-Pyrimidinone,2,5-diethoxy- Specification

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