CAS 2437-29-8|CAS 569-64-2|Diamond green B|Basic green 4|Aniline green|Malachite Green|malachite green chloride|4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-imin...

General Information

Structure

Molecular Formula

C₂₃H₂₅ClN₂

Molecular Mass

364.911

Exact Mass

364.17062649

Charge

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

Canonic Smiles

C[N+](=C1C=C/C(=C(/c2ccc(cc2)N(C)C)\c2ccccc2)/C=C1)C.[Cl-]

Isomeric Smiles

CN(C)c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1ccccc1.[Cl-]

Calculated Properties

JChem

LogD (pH = 7.4)

1.29

LogD (pH = 5.5)

1.24

Log P

1.29

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.52

Polar Surface Area

6.25

Polarizability

39.60

Molar Refractivity

131.58

Data Source

Names and Identifiers

Synonyms

Diamond green BBasic green 4Aniline greenMalachite GreenVictoria green BN,N,N′,N′-Tetramethyl-4,4′-diaminotriphenylcarbenium chlorideMalachite Green chloride碱性绿 4Malachite Green孔雀石绿孔雀石绿氯化物N,N,N′,N′-四甲基-4,4′-二氨基三苯基碳正离子氯化物VICTORIA GREEN GBasonyl Green NB 832Astra Malachite Green BBenzal GreenAstra Malachite GreenAstra Malachite Green BXXVictoria GreenN-[4-[[4-(Dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium ChlorideBasonyl Green 830CHINA GREENMalachite Green solution孔雀绿溶液CI Basic Green 4CI 42000Basic Green 4malachite green chloride saltmalachite green(4-(4-Dimethylaminobenzhydriylidene)cyclohexa-2,5-dienylidene)dimethylammonium chloride(4-(alpha-(4-Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene dimethylammonium chlorideC.I. Basic Green 4diamond green BC.I. 42000victoria green Bmalachite green chloride

IUPAC Traditional name

malachite green chloride @malachite green chloride malachite green

IUPAC name

4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00011751

CAS Number

2437-29-8569-64-2

PubChem SID

46505481160966971160962845

PubChem CID

1129511294

CHEMBL

186357CHEMBL186357

Wikipedia Title

Malachite_green

Unique Ingredient Identifier

ATC CODE

Chemspider ID

Color Index Number

Beilstein Number

EC Number

BRENDA Database

1.10.3.23.1.1.81.11.1.77.6.2.21.11.1.19

MetaboLights Database

MTBLS3487

BRENDA Ligand Database

SureChEMBL Database

SABIO-RK Database

CompTox Database

ACToR Database

BKMS React Database

Patent number

CHEBI ID

KEGG ID

Reaxys Registry

Registration numbers

Properties

Safety Information

Download link

Physical Property

Chloroform

Methanol

158-160°C

Dark Green Solid

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB03895

Drug information: experimental

MP Biomedicals

05212214

MP Biomedicals Rare Chemical collection

05219864

MP Biomedicals Rare Chemical collection

Wikipedia

Malachite_green

Sigma Aldrich

38978

Components
CompositionMalachite green 10 g/l, in water (oxalate form is used)
Application
Staining of bacterial spores according to Schaeffer and Fulton; Pappenheim stain when combined with Gram′s stain
General description
Malachite Green is used for bacterial spore staining by Schaeffer and Fulton`s method. It can also be used in place of methyl green in the Pappenheim stain, when combined with the Gram stain.

TRC

M110400

A triphenylmethane dye with fungicidal and limited antiseptic activity. The term Malachine green applies to the oxalate as well as the chloride. Harmful if swallowed. Avoid release to the environment.

ChEBI

CHEBI:72449

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.

Molecule Details

References

PubChem Literature

From Data Sources

• Clemmensen, S., et al.: Arch. Toxicol., 56, 43 (1982)

• Saikan, S., et al.: J. Chem. Phys., 79, 4154 (1982)

• Carter, S.G., et al.: J. Biochem. Biophys. Methods, 7, 7 (1982)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

malachite green chloride @malachite green chloride malachite green

IUPAC name

4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride

Registration numbers

MDL Number

MFCD00011751

CAS Number

2437-29-8569-64-2

PubChem SID

46505481160966971160962845

PubChem CID

1129511294

CHEMBL

186357CHEMBL186357

Wikipedia Title

Malachite_green

Unique Ingredient Identifier

ATC CODE

Chemspider ID

Color Index Number

Beilstein Number

EC Number

BRENDA Database

1.10.3.23.1.1.81.11.1.77.6.2.21.11.1.19

MetaboLights Database

MTBLS3487

BRENDA Ligand Database

SureChEMBL Database

SABIO-RK Database

CompTox Database

ACToR Database

BKMS React Database

Patent number

CHEBI ID

KEGG ID

Reaxys Registry

Molecule Details

DB03895

Drug information: experimental

MP Biomedicals

05212214

MP Biomedicals Rare Chemical collection

05219864

MP Biomedicals Rare Chemical collection

38978

M110400

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.

References

PubChem Literature

From Data Sources

• Clemmensen, S., et al.: Arch. Toxicol., 56, 43 (1982)

• Saikan, S., et al.: J. Chem. Phys., 79, 4154 (1982)

• Carter, S.G., et al.: J. Biochem. Biophys. Methods, 7, 7 (1982)

Bioactivity

PubChem BioAssay

Properties

Safety Information

Download link

Physical Property

Chloroform

Methanol

158-160°C

Dark Green Solid

Molecule

ID:3532