Cas no 30895-05-7 (1,3,5-Triazine,2,4,6-tris(2-methylpropoxy)-)

1,3,5-Triazine,2,4,6-tris(2-methylpropoxy)- structure
30895-05-7 structure
Product Name:1,3,5-Triazine,2,4,6-tris(2-methylpropoxy)-
CAS No:30895-05-7
MF:C15H27N3O3
MW:297.39318394661
CID:319723
Update Time:2024-01-28

1,3,5-Triazine,2,4,6-tris(2-methylpropoxy)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine,2,4,6-tris(2-methylpropoxy)-
    • 2,4,6-TRIISOBUTOXY-S-TRIAZINE
    • 1,3,5-Triazine, 2,4,6-tris(2-methylpropoxy)-
    • Inchi: 1S/C15H27N3O3/c1-10(2)7-19-13-16-14(20-8-11(3)4)18-15(17-13)21-9-12(5)6/h10-12H,7-9H2,1-6H3
    • InChI Key: HFXMGRJEBSTXSS-UHFFFAOYSA-N
    • SMILES: N1=C(OCC(C)C)N=C(OCC(C)C)N=C1OCC(C)C

Computed Properties

  • Exact Mass: 297.20541
  • Monoisotopic Mass: 297.205242
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 9
  • Complexity: 220
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.4

Experimental Properties

  • Density: 1.022
  • Melting Point: 37 °C
  • Boiling Point: 393.1°C at 760 mmHg
  • Flash Point: 142.7°C
  • Refractive Index: 1.476
  • PSA: 66.36
  • pka: 1.79±0.10(Predicted)
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