chempirical

Crystal violet

C25H30ClN3CAS 548-62-9407.99 g/mol

Open in Covalent MOL file
NN+NCl−
AlkeneTertiary amine

Properties

Molecular formula
C25H30ClN3
Molar mass
407.99 g/mol
Exact mass
407.2128 Da
Melting point
205–215 °C (decomposes)
logP
1.46Crippen estimate
Polar surface area
9.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
548-62-9
SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]
InChIKey
ZXJXZNDDNMQXFV-UHFFFAOYSA-M
InChI
InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

87 names · show all
  • Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)
  • C.I. Basic violet 3
  • Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride
  • C.I. 42555
  • Adergon
  • Aizen crystal violet
  • Aizen crystal violet extra pure
  • Aniline violet pyoktanine
  • Axuris
  • Badil
  • Basic violet BN
  • Calcozine violet C
  • Calcozine violet 6BN
  • Crystal violet 5BO
  • Crystal violet 6BO
  • Crystal violet AO
  • Crystal violet AON
  • Crystal violet BPC
  • Crystal Violet chloride
  • Crystal violet extra pure
  • Crystal violet extra pure APN
  • Crystal violet extra pure APNX
  • Crystal violet FN
  • Crystal violet HL 2
  • Crystal violet pure DSC
  • Crystal violet pure DSC brilliant
  • Crystal violet SS
  • Crystal violet technical
  • Crystal violet USP
  • Crystal violet O
  • Crystal violet 6B
  • Crystal violet 10B
  • Gentersal
  • Gentiaverm
  • Hectograph violet SR
  • Hecto violet R
  • Hexamethylpararosaniline chloride
  • Hexamethyl-p-rosaniline chloride
  • Hidaco brilliant crystal violet
  • Methylrosaniline chloride
  • Methyl violet 5BNO
  • Methyl violet 5BO
  • Methyl violet 10BO
  • Methyl violet 10BD
  • Methyl violet 10BK
  • Methyl violet 10B
  • Methyl violet 10BN
  • Mitsui crystal violet
  • Paper blue R
  • Pararosaniline, N,N,N′,N′,N′′,N′′-hexamethyl-, chloride
  • Plastoresin violet 5BO
  • Pyoktanin
  • Viocid
  • Violet 5BO
  • 12416 Violet
  • Violet CP
  • Violet 6BN
  • Crystal violet BP
  • Gentian violet
  • Violet XXIII
  • Aniline violet
  • Meroxylan-wander
  • Meroxyl-wander
  • Vianin
  • Methyl violet 10BNS
  • Basic violet 3
  • Vermicid
  • Atmonil
  • Avermin
  • Genticid
  • Gentioletten
  • Oxiuran
  • Oxycolor
  • Oxyozyl
  • Hexamethyl violet
  • Methyl violet 6B
  • Methyl Violet 6B (biological stain)
  • Sanyo fanal violet R
  • Gentian violet B
  • Basonyl violet 610
  • Methylrosanilinium chloride
  • Meroxylan
  • Meroxyl
  • Aizen crystal violet powder
  • Violet 612
  • Chlorohexamethylene-p-fuchsin
  • Keyazine crystal violet 6B

Work with Crystal violet

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

Malachite green569-64-289 % similar Methyl green7114-03-664 % similar Malachite green oxalate2437-29-858 % similar Acid violet 491694-09-342 % similar Thioflavin2390-54-740 % similar 4,4′-Bis(dimethylamino)thiobenzophenone1226-46-638 % similar Solvent yellow 34492-80-838 % similar Michler'S ketone90-94-838 % similar

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

Elsewhere

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