Cas no 17027-83-7 (Hexanoic acid,3,5-diamino-)

Hexanoic acid,3,5-diamino- structure
Hexanoic acid,3,5-diamino- structure
Product Name:Hexanoic acid,3,5-diamino-
CAS No:17027-83-7
MF:C6H14N2O2
MW:146.187561511993
CID:187391
PubChem ID:331
Update Time:2025-04-19

Hexanoic acid,3,5-diamino- Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,3,5-diamino-
    • 3,5-diaminohexanoate
    • 3,5-diaminohexanoic acid
    • AKOS006363073
    • 17027-83-7
    • SCHEMBL397004
    • DTXSID70937753
    • Hexanoic acid, 3,5-diamino-
    • 3,5-Diaminohexansaeure
    • Inchi: 1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
    • InChI Key: NGDLSXMSQYUVSJ-UHFFFAOYSA-N
    • SMILES: OC(CC(CC(C)N)N)=O

Computed Properties

  • Exact Mass: 145.09779
  • Monoisotopic Mass: 146.105528
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 116
  • 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
  • Topological Polar Surface Area: 89.3
  • XLogP3: -3.6

Experimental Properties

  • Density: 1.121
  • Boiling Point: 308.6°Cat760mmHg
  • Flash Point: 140.5°C
  • PSA: 92.17
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