Cas no 69731-45-9 (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-bis(oxiranylmethyl)-5-(2-propenyl)-)

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-bis(oxiranylmethyl)-5-(2-propenyl)- structure
69731-45-9 structure
Product Name:1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-bis(oxiranylmethyl)-5-(2-propenyl)-
CAS No:69731-45-9
MF:C12H15N3O5
MW:281.264602899551
CID:391420
PubChem ID:53427801
Update Time:2025-04-19

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-bis(oxiranylmethyl)-5-(2-propenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-bis(oxiranylmethyl)-5-(2-propenyl)-
    • 1,3-bis(oxiran-2-ylmethyl)-5-prop-1-en-2-yl-1,3,5-triazinane-2,4,6-trione
    • 1,3-Bis(oxiranylmethyl)-5-(2-propenyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
    • 69731-45-9
    • 1,3-Bis[(oxiran-2-yl)methyl]-5-(prop-1-en-2-yl)-1,3,5-triazinane-2,4,6-trione
    • 1,3-bis(oxiran-2-ylmethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
    • DTXSID90699644
    • FT-0774569
    • Inchi: 1S/C12H15N3O5/c1-7(2)15-11(17)13(3-8-5-19-8)10(16)14(12(15)18)4-9-6-20-9/h8-9H,1,3-6H2,2H3
    • InChI Key: IFRRQUWBWWMPKZ-UHFFFAOYSA-N
    • SMILES: O1CC1CN1C(N(C(=C)C)C(N(C1=O)CC1CO1)=O)=O

Computed Properties

  • Exact Mass: 281.10125
  • Monoisotopic Mass: 281.10117059g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 469
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 86?2

Experimental Properties

  • PSA: 85.99
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