Cas no 1069-33-6 (Hexanedioic acid,2,5-diamino-)

Hexanedioic acid,2,5-diamino- structure
Hexanedioic acid,2,5-diamino- structure
Product Name:Hexanedioic acid,2,5-diamino-
CAS No:1069-33-6
MF:C6H12N2O4
MW:176.170481681824
CID:231716
PubChem ID:350080
Update Time:2025-04-19

Hexanedioic acid,2,5-diamino- Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid,2,5-diamino-
    • 2,5-Diaminohexanedioic acid
    • 1.4-Diamino-butan-dicarbonsaeure-(1.4)
    • 2,5-Diamino-adipinsaeure
    • 2.5-Diamino-hexandisaeure
    • AC1L6VIL
    • CTK8G5238
    • NSC506572
    • Opt.-inakt.2,5-Diamino-adipinsaeure
    • optically inactive 2,5-diamino-adipic acid
    • Hexanedioic acid, 2,5-diamino-
    • AKOS016023833
    • 2,5-Diamino-hexanedioic acid
    • DTXSID60325428
    • NSC-506572
    • 2,5-diaminoadipic acid
    • SCHEMBL602426
    • 1069-33-6
    • Inchi： 1S/C6H12N2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
    • InChI Key： KLNKMGPJWOMQTJ-UHFFFAOYSA-N
    • SMILES： OC(C(CCC(C(=O)O)N)N)=O

Computed Properties

  • Exact Mass: 176.07976
  • Monoisotopic Mass: 176.07970687g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 162
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -6.2
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • PSA: 126.64

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