Crystal violet

C₂₅H₃₀ClN₃CAS 548-62-9407.99 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₂₅H₃₀ClN₃
Molar mass: 407.99 g/mol
Exact mass: 407.2128 Da
Melting point: 205–215 °C (decomposes)
Water solubility: 4 g/L (25 °C)
logP: 1.46Crippen estimate
Polar surface area: 9.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H318 Causes serious eye damageSerious eye damage/eye irritation
H351 Suspected of causing cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-204-00-2), via PubChem.

Precautionary statements

P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, P501

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 Green zinc chloride salt7114-03-664 % similar Malachite green oxalate2437-29-858 % similar Solvent violet 852080-58-755 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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