Cas no 103837-26-9 (Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene)

Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene structure
103837-26-9 structure
Product Name:Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene
CAS No:103837-26-9
MF:C30H39N3O3
MW:489.648967981339
CID:184661
PubChem ID:44147922
Update Time:2025-04-19

Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene
    • 2,4-diisocyanato-1,3,5-tri(propan-2-yl)benzene,2-isocyanato-1,3-di(propan-2-yl)benzene
    • Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-meth...
    • DTXSID50146083
    • 103837-26-9
    • NS00129247
    • Inchi： 1S/C17H22N2O2.C13H17NO/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20;1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h7,10-12H,1-6H3;5-7,9-10H,1-4H3
    • InChI Key： QRVDMPWQMPXKJE-UHFFFAOYSA-N
    • SMILES： O=C=NC1C(=CC(=C(C=1C(C)C)N=C=O)C(C)C)C(C)C.O=C=NC1C(=CC=CC=1C(C)C)C(C)C

Computed Properties

  • Exact Mass: 489.299
  • Monoisotopic Mass: 489.299
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 8
  • Complexity: 621
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 88.3A^2

Experimental Properties

  • PSA: 88.29000
  • LogP: 8.89210

Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene Related Literature

103837-26-9 (Benzene, 2,4-diisocyanato-1,3,5-tris(1-methylethyl)-, polymer with 2-isocyanato-1,3-bis(1-methylethyl)benzene) Related Products

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