chempirical

Methyl green

C27H35BrCl3N3ZnCAS 7114-03-6653.23 g/mol

Open in Covalent MOL file
N+N+NBr−Cl−Cl−Cl−Zn2+
AlkeneQuaternary ammoniumTertiary amine

Properties

Molecular formula
C27H35BrCl3N3Zn
Molar mass
653.23 g/mol
Exact mass
649.0371 Da
logP
-7.01Crippen estimate
Polar surface area
6.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
7114-03-6
SMILES
CC[N+](C)(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Br-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIKey
RRKSQWOQZFIQKW-UHFFFAOYSA-J
InChI
InChI=1S/C27H35N3.BrH.3ClH.Zn/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5;;;;;/h9-20H,8H2,1-7H3;4*1H;/q+2;;;;;+2/p-4

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzenaminium, 4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-dimethyl-, bromide chloride, compd. with zinc chloride (ZnCl2) (1:1:1:?)
  • Benzenaminium, 4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-dimethyl-, bromide chloride, compd. with zinc chloride
  • Ammonium, [α-[p-(dimethylamino)phenyl]-α-[p-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]-p-tolyl]ethyldimethyl-, bromide chloride, compd. with zinc chloride
  • Benzenaminium, 4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-dimethyl-, bromide chloride, compd. with zinc chloride (ZnCl2)
  • Zinc chloride (ZnCl2), compd. with 4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-dimethylbenzenaminium bromide chloride
  • Ethyl green
  • Sigma Methyl green
  • Sigma Ethyl green

Work with Methyl green

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Crystal violet548-62-964 % similar Malachite green569-64-260 % similar Malachite green oxalate2437-29-843 % similar Acid violet 491694-09-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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