Cas no 286012-98-4 (1,6-Hexanediamine-1,6-13C2(9CI))

1,6-Hexanediamine-1,6-13C2(9CI) structure
286012-98-4 structure
Product Name:1,6-Hexanediamine-1,6-13C2(9CI)
CAS No:286012-98-4
MF:C6H16N2
MW:118.189950942993
CID:248573
PubChem ID:16213506
Update Time:2025-04-19

1,6-Hexanediamine-1,6-13C2(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,6-Hexanediamine-1,6-13C2(9CI)
    • hexane-1,6-diamine
    • Hexamethylenediamine-1,6-13C2
    • 1,6-Hexanediamine-1,6-13C2
    • 1,6-Diaminohexane-1,6-13C2, 99 atom % 13C
    • (1,6-~13~C_2_)Hexane-1,6-diamine
    • 1,6-Diaminohexane-1,6-13C2
    • (1,6-13C2)hexane-1,6-diamine
    • MFCD00083985
    • 286012-98-4
    • DTXSID50583999
    • Inchi: 1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i5+1,6+1
    • InChI Key: NAQMVNRVTILPCV-MPOCSFTDSA-N
    • SMILES: N[13CH2]CCCC[13CH2]N

Computed Properties

  • Exact Mass: 118.138058190g/mol
  • Monoisotopic Mass: 118.138058190g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 5
  • Complexity: 31.5
  • 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: -0.2
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 0.905?g/mL?at 25?°C
  • Melting Point: 42-45?°C(lit.)
  • Boiling Point: 204-205?°C(lit.)
  • Flash Point: 80?°C

1,6-Hexanediamine-1,6-13C2(9CI) Security Information

  • Hazardous Material transportation number:UN 2280 8/PG 3
  • WGK Germany:1
  • Hazard Category Code: 21/22-34-37
  • Safety Instruction: 22-26-36/37/39-45
  • Hazardous Material Identification: C
  • Risk Phrases:21/22-34-37
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