Cas no 110978-53-5 (hexane-2,5-diamine)

hexane-2,5-diamine structure
hexane-2,5-diamine structure
Product Name:hexane-2,5-diamine
CAS No:110978-53-5
MF:C6H16N2
MW:116.204641342163
MDL:MFCD08452705
CID:1195369
PubChem ID:14849721
Update Time:2025-04-20

hexane-2,5-diamine Chemical and Physical Properties

Names and Identifiers

    • 2,5-Hexanediamine
    • 2,5-diaminohexane
    • hexane-2,5-diamine
    • SCHEMBL727473
    • 1,4-Dimethylputrescine
    • EN300-2960926
    • DTXSID801347572
    • CHEMBL59971
    • AKOS006289446
    • (+)-Hexane-2,5-Diamine
    • 110978-53-5
    • Z1198179083
    • MDL: MFCD08452705
    • Inchi: 1S/C6H16N2/c1-5(7)3-4-6(2)8/h5-6H,3-4,7-8H2,1-2H3
    • InChI Key: BBPXVYVXKAYBSS-UHFFFAOYSA-N
    • SMILES: NC(C)CCC(C)N

Computed Properties

  • Exact Mass: 116.13148
  • Monoisotopic Mass: 116.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 46.5
  • 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: -0.1
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • PSA: 52.04

hexane-2,5-diamine Pricemore >>

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