Triclobisonium chloride

CAS Registry Number®

79-90-3

CAS Name

Triclobisonium chloride

Molecular Formula

C36H74N2.2Cl

Cite this Page

Triclobisonium chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79-90-3 (retrieved 2024-11-15) (CAS RN: 79-90-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    248 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C36H74N2.2ClH/c1-29-19-17-25-35(5,6)33(29)23-21-31(3)37(9,10)27-15-13-14-16-28-38(11,12)32(4)22-24-34-30(2)20-18-26-36(34,7)8;;/h29-34H,13-28H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

InChIKey=JMTNOKRGERWNME-UHFFFAOYSA-L

SMILES

C(CC([N+](CCCCCC[N+](C(CCC1C(C)(C)CCCC1C)C)(C)C)(C)C)C)C2C(C)(C)CCCC2C.[Cl-]

Canonical SMILES

[Cl-].CC1CCCC(C)(C)C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(C)CCCC2(C)C

Other Names for this Substance

  • 1,6-Hexanediaminium, N1,N1,N6,N6-tetramethyl-N1,N6-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]-, chloride (1:2)
  • Ammonium, hexamethylenebis[dimethyl[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]-, dichloride
  • Hexamethylenebis[dimethyl[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]ammonium chloride]
  • 1,6-Hexanediaminium, N,N,N′,N′-tetramethyl-N,N′-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]-, dichloride
  • Ro 5-0810/1

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CAS INSIGHTSTM
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