Cas no 22176-45-0 (1,3,5-Triazine-2,4-diamine,6-(4-penten-1-yl)-)

1,3,5-Triazine-2,4-diamine,6-(4-penten-1-yl)- structure
22176-45-0 structure
Product Name:1,3,5-Triazine-2,4-diamine,6-(4-penten-1-yl)-
CAS No:22176-45-0
MF:C8H13N5
MW:179.222320318222
CID:261231
PubChem ID:89613
Update Time:2025-04-19

1,3,5-Triazine-2,4-diamine,6-(4-penten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine-2,4-diamine,6-(4-penten-1-yl)-
    • 1,3,5-Triazine-2,4-diamine, 6-(4-pentenyl)-
    • 6-(Pent-4-en-1-yl)-1,3,5-triazine-2,4-diamine
    • NS00027091
    • 6-(4-Pentenyl)-1,3,5-triazine-2,4-diamine
    • UNII-EDL9Z9TD87
    • EDL9Z9TD87
    • EINECS 244-816-7
    • 22176-45-0
    • DTXSID8066765
    • 1,3,5-Triazine-2,4-diamine, 6-(4-penten-1-yl)-
    • Inchi: 1S/C8H13N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2H,1,3-5H2,(H4,9,10,11,12,13)
    • InChI Key: DNROWNDXCCMFHU-UHFFFAOYSA-N
    • SMILES: N1C(N)=NC(N)=NC=1CCCC=C

Computed Properties

  • Exact Mass: 179.11729
  • Monoisotopic Mass: 179.117
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 151
  • 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
  • XLogP3: 1
  • Topological Polar Surface Area: 90.7?2

Experimental Properties

  • Density: 1.186
  • Boiling Point: 428.7°C at 760 mmHg
  • Flash Point: 242.8°C
  • Refractive Index: 1.606
  • PSA: 90.71
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