2,5-diethoxypyrimid...

2,5-diethoxypyrimidine(CAS No. 5469-18-1)

2,5-diethoxypyrimidine(CAS No. 5469-18-1)

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  • Purity: 99%
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2,5-diethoxypyrimidine 5469-18-1 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
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Details:

【Name】
2,5-diethoxypyrimidine
【CAS Registry number】
5469-18-1
【Synonyms】
T5211462
ZINC03298582
AC1M7ABS
HMS1721N19
ethyl 3-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate
【Molecular Formula】
C8H12N2O2 (Products with the same molecular formula)
【Molecular Weight】
168.1931
【Inchi】
InChI=1/C8H12N2O2/c1-3-11-7-5-9-8(10-6-7)12-4-2/h5-6H,3-4H2,1-2H3
【Canonical SMILES】
CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5
【MOL File】
5469-18-1.mol
Chemical and Physical Properties
【Density】
1.071g/cm3
【Boiling Point】
270.3°C at 760 mmHg
【Refractive Index】
1.486
【Flash Point】
99.1°C
【Computed Properties】
Molecular Weight:503.6357 [g/mol]
Molecular Formula:C27H25N3O3S2
XLogP3-AA:6.3
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:11
Exact Mass:503.133733
MonoIsotopic Mass:503.133733
Topological Polar Surface Area:124
Heavy Atom Count:35
Formal Charge:0
Complexity:680
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:5
Effective Rotor Count:11
Conformer Sampling RMSD:1.2
CID Conformer Count:95

 

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