Cas no 51121-88-1 (1,8-Octanediamine,2,4-dimethyl-)

1,8-Octanediamine,2,4-dimethyl- structure
51121-88-1 structure
Product Name:1,8-Octanediamine,2,4-dimethyl-
CAS No:51121-88-1
MF:C10H24N2
MW:172.310962677002
CID:377491
PubChem ID:3016610
Update Time:2025-04-19

1,8-Octanediamine,2,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,8-Octanediamine,2,4-dimethyl-
    • 2,4-Dimethyloctane-1,8-diamine
    • 51121-88-1
    • SCHEMBL196598
    • 6GRT8C4RBW
    • EINECS 256-996-4
    • 2,4-dimethyl-1,8-octanediamine
    • 1,8-Octanediamine, 2,4-dimethyl-
    • SQAPJTNHAUBTOP-UHFFFAOYSA-N
    • DTXSID20965405
    • NS00057585
    • Inchi: 1S/C10H24N2/c1-9(5-3-4-6-11)7-10(2)8-12/h9-10H,3-8,11-12H2,1-2H3
    • InChI Key: SQAPJTNHAUBTOP-UHFFFAOYSA-N
    • SMILES: NCC(C)CC(C)CCCCN

Computed Properties

  • Exact Mass: 172.19412
  • Monoisotopic Mass: 172.193949
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 93.8
  • 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: 1.5
  • Topological Polar Surface Area: 52

Experimental Properties

  • Density: 0.854
  • Boiling Point: 246.3°Cat760mmHg
  • Flash Point: 122.6°C
  • Refractive Index: 1.461
  • PSA: 52.04
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