chempirical

Acid violet 49

C39H40N3NaO6S2CAS 1694-09-3733.87 g/mol

Open in Covalent MOL file
NSO−OON+NSO−OONa+
AlkeneSulfonic acidTertiary amine

Properties

Molecular formula
C39H40N3NaO6S2
Molar mass
733.87 g/mol
Exact mass
733.2256 Da
Water solubility
< 1 g/L (20 °C)
logP
6.15Crippen estimate
Polar surface area
121.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
12

Hazards

Warning
Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
1694-09-3
SMILES
CCN(Cc1cccc(S([O-])(=O)=O)c1)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(CC)Cc3cccc(S([O-])(=O)=O)c3)cc2)cc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

60 names · show all
  • Benzenemethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
  • Libacid violet L4BS
  • Monacid violet 4BS
  • Lowalan violet 49
  • Borunil violet A-6B
  • Dinacid violet 4B
  • Kenanthrol violet 4BNS
  • Pacid violet 4BS
  • Acid violet 23184
  • C.I. Acid violet 49
  • C.I. Acid Violet 49, sodium salt
  • Benzenemethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
  • Acid violet 5B
  • Benzenemethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt
  • C.I. 42640
  • Acid fast violet 5BN
  • Acid violet 6B
  • Acilan violet S 4BN
  • Aizen acid violet 5BH
  • D And C violet no. 1
  • Benzyl violet
  • Benzyl violet 3B
  • C.I. Food violet 2
  • Coomassie violet
  • Fast acid violet 5BN
  • FD and C Violet 1
  • FD and C violet no. 1
  • Hidacid wool violet 5B
  • Kiton violet 4BNS
  • Tertracid brilliant violet 6B
  • Violet 6B
  • 11386 Violet
  • A.F. Violet no. 1
  • Wool violet 4BN
  • Wool violet 5BN
  • Acid violet S
  • Acid violet
  • Benzyl violet 4B
  • Violet no. 1
  • Food violet 2
  • Acid violet 5BN
  • Pergacid violet 2B
  • Acid violet 4BNP
  • Atlantic acid violet 4BNS
  • Serva violet 49
  • Orient water violet 1
  • Orbacid violet S 4B
  • Water violet 1
  • Old japan purple 1
  • Old japan violet 1
  • FD&C violet no. 1
  • Triacid violet 4BN
  • Ravi acid violet 4B
  • Indacid violet S 4BN
  • Ichoacid violet M
  • Acid milling violet 4BS
  • Everacid violet 4BR
  • Dycosacid violet 5B
  • Cogilor violet 411.12
  • Ratna acid violet 5BND

Work with Acid violet 49

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

Acid violet 174129-84-483 % similar Brilliant blue FCF3844-45-968 % similar Brilliant blue R6104-59-264 % similar Japan Blue 1 aluminum lake68921-42-660 % similar Acid blue 1129-17-956 % similar Fast green FCF2353-45-956 % similar Acid blue 92650-18-255 % similar C.I. Acid green 1612768-78-454 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook