Cas no 33231-00-4 (Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2))

Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2) structure
33231-00-4 structure
Product Name:Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2)
CAS No:33231-00-4
MF:C27H35Cl2N3
MW:472.492904901505
CID:307157
PubChem ID:9956454
Update Time:2025-04-19

Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2) Chemical and Physical Properties

Names and Identifiers

    • Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2)
    • Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,c
    • Heptamethyl-p-rosaniline chloride
    • 4-[[4-(dimethylamino)-m-tolyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride
    • Iodine green (C.I. 42556)
    • 33231-00-4
    • C.I. 42556
    • CHEBI:90179
    • (4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium dichloride
    • NSC 8673
    • [4-[(E)-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;dichloride
    • 4-((4-(Dimethylamino)-m-tolyl)(4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-N,N,N-trimethylanilinium dichloride
    • Q27162380
    • CHEMBL3391813
    • Iodine Green
    • EINECS 251-412-4
    • Inchi： 1S/C27H35N3.2ClH/c1-20-19-23(13-18-26(20)29(4)5)27(21-9-14-24(15-10-21)28(2)3)22-11-16-25(17-12-22)30(6,7)8;;/h9-19H,1-8H3;2*1H/q+2;;/p-2
    • InChI Key： FRCAGVUKJQCWBD-UHFFFAOYSA-L
    • SMILES： [Cl-].[Cl-].[N+](C)(C)(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(C)C)=C1C=CC(C(C)=C1)=[N+](C)C |c:21,t:29|

Computed Properties

  • Exact Mass: 435.9471
  • Monoisotopic Mass: 471.221
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 725
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 6.2A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 6.25
  • LogP: 1.90270

Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2) Related Literature

33231-00-4 (Benzenaminium,4-[[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2)) Related Products

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