Cas no 23304-08-7 (Hexamethylenetetramine-d12)

Hexamethylenetetramine-d12 structure
Hexamethylenetetramine-d12 structure
Product Name:Hexamethylenetetramine-d12
CAS No:23304-08-7
MF:C6H12N4
MW:152.260220527649
CID:251944
PubChem ID:12224935
Update Time:2025-08-03

Hexamethylenetetramine-d12 Chemical and Physical Properties

Names and Identifiers

    • 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane-2,2,4,4,6,6,8,8,9,9,10,10-d12(9CI)
    • Hexamethylenetetramine-d12
    • Methenamine-d12
    • 2, 2, 4, 4, 6, 6, 8, 8, 9, 9, 10, 10-dodecadeuterio-1, 3, 5, 7-tetrazatricyclo[3.3.1.13, 7]decane
    • D98806
    • J-015071
    • 2,2,4,4,6,6,8,8,9,9,10,10-dodecadeuterio-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
    • DTXSID20481251
    • (?H??)-1,3,5,7-tetraazatricyclo[3.3.1.1?,?]decane
    • 23304-08-7
    • 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane-2,2,4,4,6,6,8,8,9,9,10,10-d12 (9CI); Hexamethylenetetramine-d12 (8CI); 1,3,5,7-Tetraazaadamantane-2,2,4,4,6,6,8,8,9,9,10,10-d12; Perdeuterated hexamethylenetetramine; Perdeuterohexamethylenetetramine
    • Inchi: 1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
    • InChI Key: VKYKSIONXSXAKP-LBTWDOQPSA-N
    • SMILES: N12C([2H])([2H])N3C([2H])([2H])N(C([2H])([2H])N(C3([2H])[2H])C1([2H])[2H])C2([2H])[2H]

Computed Properties

  • Exact Mass: 152.18200
  • Monoisotopic Mass: 152.181517351g/mol
  • Isotope Atom Count: 12
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 84.8
  • 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: 0.3
  • Topological Polar Surface Area: 13?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: >245°C (dec.)
  • Boiling Point: 252.7±8.0 °C at 760 mmHg
  • Flash Point: 103.9±14.1 °C
  • Solubility: DMSO (Slightly), Methanol (Slightly)
  • PSA: 12.96000
  • LogP: -1.26820
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

Hexamethylenetetramine-d12 Security Information

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Hexamethylenetetramine-d12 Production Method

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