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20461-60-3

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Basic Information
CAS No.: 20461-60-3
Name: 2,4-DIETHOXYPYRIMIDINE
Article Data: 8
Molecular Structure:
Molecular Structure of 20461-60-3 (2,4-DIETHOXYPYRIMIDINE)
Formula: C8H12N2O2
Molecular Weight: 168.195
Synonyms: 2,4-Diethoxypyrimidine;NSC 13689;
Density: 1.071 g/cm3
Boiling Point: 270.3 °C at 760 mmHg
Flash Point: 99.1 °C
Safety: 24/25
PSA: 44.24000
LogP: 1.27400
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Specification

The Pyrimidine,2,4-diethoxy-, with the CAS registry number 20461-60-3, is also known as 2,4-Diethoxypyrimidine, 98%. This chemical's molecular formula is C8H12N2O2 and molecular weight is 168.19. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Diethoxypyrimidine.

Physical properties about Pyrimidine,2,4-diethoxy- are: (1) ACD/LogP: 2.13; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 44.24 Å2; (7) Index of Refraction: 1.486; (8) Molar Refractivity: 45.05 cm3; (9) Molar Volume: 156.8 cm3; (10) Surface Tension: 37.5 dyne/cm; (11) Density: 1.071 g/cm3; (12) Flash Point: 99.1 °C; (13) Enthalpy of Vaporization: 48.8 kJ/mol; (14)Boiling Point: 270.3 °C at 760 mmHg; (15) Vapour Pressure: 0.0114 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1nc(OCC)ccn1)CC
(2) InChI: InChI=1/C8H12N2O2/c1-3-11-7-5-6-9-8(10-7)12-4-2/h5-6H,3-4H2,1-2H3
(3) InChIKey: REZCUNDZKVUACL-UHFFFAOYAW