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Molecule
Aniline green
CAS: 569-64-2 · C23H25ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 569-64-2
- Molecular Formula
- C23H25ClN2
- Molecular Mass
- 364.92 g/mol
Identifiers
CAS Registry Number
569-64-2
SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.[Cl-]
InChI Key
FDZZZRQASAIRJF-UHFFFAOYSA-M
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
Names and Synonyms
- Aniline green Synonym
- Malachite Green Synonym
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1) Synonym
- Victoria Green WB Synonym
- C.I. Basic Green 4 Synonym
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride Synonym
- C.I. 42000 Synonym
- Acryl Brilliant Green B Synonym
- ADC Malachite Green Crystals Synonym
- Aizen Malachite Green Crystals Synonym
- Astra Malachite Green Synonym
- Astra Malachite Green B Synonym
- Astra Malachite Green BXX Synonym
- Benzaldehyde green Synonym
- Benzal Green Synonym
- Bronze Green Toner A 8002 Synonym
- Burma Green B Synonym
- Calcozine Green V Synonym
- China Green Synonym
- Diabasic Malachite Green Synonym
- Diamond Green BX Synonym
- Diamond Green B extra Synonym
- Diamond Green P Extra Synonym
- Green MX Synonym
- Grenoble Green Synonym
- Hidaco Malachite Green Base Synonym
- Hidaco Malachite Green LC Synonym
- Hidaco Malachite Green SC Synonym
- Light Green N Synonym
- Lincoln Green Toner B 15-2900 Synonym
- Malachite Green A Synonym
- Malachite Green J 3E Synonym
- Malachite Green AN Synonym
- Malachite green chloride Synonym
- Malachite Green CP Synonym
- Malachite Green Crystals Synonym
- Malachite Green Crystals BPC Synonym
- Malachite Green Powder Synonym
- Malachite Green WS Synonym
- Malachite Lake Green A Synonym
- Mitsui Malachite Green Synonym
- New Victoria Green Extra I Synonym
- New Victoria Green Extra O Synonym
- New Victoria Green Extra II Synonym
- Oji Malachite Green Synonym
- Solid Green O Synonym
- Solid Green Crystals O Synonym
- Tertrophene Green M Synonym
- Tokyo Aniline Malachite Green Synonym
- Victoria Green Synonym
- Victoria Green B Synonym
- Victoria Green S Synonym
- Victoria Green WPB Synonym
- Malachite green Synonym
- Basic Green 4 Synonym
- Malachite Green B Synonym
- Aizen Malachite Green Synonym
- Victoria Green (basic dye) Synonym
- Verona Basic Green M Synonym
- Atlantic Malachite Green Synonym
- Basonyl Green 830 Synonym
- Super Ick Cure Synonym
- Malachite Green XLS Synonym
- Basonyl Green NB 832 Synonym
- Basacryl Green X-BF Synonym
- Green Malaquite Synonym
- LC 6220 Synonym
- Aizen malachite green liquid Synonym
- Malachite Green 4 Synonym
- Diamond Green B Synonym
- Astrazon Green M Synonym
- Basic Light Green G 4 Synonym
- MKG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.92 g/mol | CAS Common Chemistry |
| 364.91999999999996 g/mol | RDKit | |
| 364.917 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Malachite_green | CAS Common Chemistry |
| Canonical SMILES | [Cl-].C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=FDZZZRQASAIRJF-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 112-114 °C | CAS Common Chemistry |
| Name | Malachite green | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.25 Ų | RDKit |
| LogP | 1.3975999999999997 | RDKit |
| 1.3976 | RDKit | |
| Molar Refractivity | 108.62840000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1739 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 364.17062648 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 364.92 g/mol. Edit any field — others recompute live.
