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Basic Green 4

CAT: 0926-FB34042-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FB34042-01Size:50 g
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CAS Number
569-64-2
Synonyms
Malachite Green
MDL Number
MFCD00011751
Smiles
CN (C) C1=CC=C (C=C1) C (=C2C=CC (=[N+] (C) C) C=C2) C3=CC=CC=C3.[Cl-]
Molecular Formula
C23H25ClN2
Molecular Weight
364.91 g/mol
Controlled
No

Chemical Information

Malachite Green

Malachite green is an organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture. It has a role as an antibacterial agent, a carcinogenic agent, a teratogenic agent, a fluorochrome, a histological dye, an environmental contaminant and an antifungal drug. It contains a malachite green cation.

CAS Number569-64-2
PubChem CID11294
IUPAC Name[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Molecular FormulaC23H25ClN2
Molecular Weight364.9
Topological Polar Surface Area6.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity516
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]
InChI
InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1
InChIKey
FDZZZRQASAIRJF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Malachite Green
CAS: 569-64-2
CID: 11294
Formula: C23H25ClN2
MW: 364.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight364.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass364.1706265
Monoisotopic Mass364.1706265
Topological Polar Surface Area6.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity516
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