Cas no 125454-27-5 (Pentanoic acid,5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-)

Pentanoic acid,5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- structure
125454-27-5 structure
Product Name:Pentanoic acid,5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-
CAS No:125454-27-5
MF:C10H16ClN5O2
MW:273.719340324402
CID:210144
PubChem ID:180326
Update Time:2025-04-19

Pentanoic acid,5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-
    • 5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]pentanoic acid
    • Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-
    • 125454-27-5
    • DTXSID40154778
    • Inchi： 1S/C10H16ClN5O2/c1-2-12-9-14-8(11)15-10(16-9)13-6-4-3-5-7(17)18/h2-6H2,1H3,(H,17,18)(H2,12,13,14,15,16)
    • InChI Key： ZWJIFQAJXAGEHL-UHFFFAOYSA-N
    • SMILES： ClC1N=C(NCC)N=C(N=1)NCCCCC(=O)O

Computed Properties

  • Exact Mass: 273.09948
  • Monoisotopic Mass: 273.0992525g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 256
  • 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: 2.1
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • PSA: 100.03

Pentanoic acid,5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]- Related Literature

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