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Bronze Green Toner A 8002
CAS: 569-64-2 | C23H25ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
569-64-2
Molecular Formula:
C23H25ClN2
Molecular Weight:
364.91999999999996 g/mol
Names and Synonyms:
Bronze Green Toner A 8002
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
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
Aniline green
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
Identifiers:
SMILES:
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.[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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 364.92 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Malachite_green None | Legacy Database |
| cas-canonical-smile | [Cl-].C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=FDZZZRQASAIRJF-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 112-114 °C None | Legacy Database |
| cas-name | Malachite green None | Legacy Database |
| wikipedia-name | Malachite green None | Legacy Database |
| LogP | 1.3975999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 364.91999999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 364.17062648 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.62840000000001 | RDKit |