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Crystal Violet

CAT: 0931-T1343L-04Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-T1343L-04Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
548-62-9
Target
Influenza Virus, DNA, Antibacterial
Related Pathways
Microbiology/Virology, DNA Damage/DNA Repair
Purity
0.996
Bioactivity
Crystal Violet (Hexamethylpararosaniline chloride) is a triarylmethane dye that is a mixture of violet rosanilinis, with antibacterial, antifungal, and anthelmintic properties.
Smiles
[Cl-].CN(C)c1ccc(cc1)C(\c1ccc(cc1)N(C)C)=C1\C=C/C(/C=C\1)=[N+](/C)C
Molecular Formula
C25H30ClN3
Molecular Weight
407.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Crystal Violet

Gentian Violet can cause cancer according to an independent committee of scientific and health experts.

CAS Number548-62-9
PubChem CID11057
IUPAC Name[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Molecular FormulaC25H30ClN3
Molecular Weight408.0
Topological Polar Surface Area9.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity542
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
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
InChIKey
ZXJXZNDDNMQXFV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Crystal Violet
CAS: 548-62-9
CID: 11057
Formula: C25H30ClN3
MW: 408.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass407.2128257
Monoisotopic Mass407.2128257
Topological Polar Surface Area9.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
B1920-5.1Crystal Violet

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