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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
Malachite Green
Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)
Victoria Green WB
C.I. Basic Green 4
Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride
C.I. 42000
Acryl Brilliant Green B
ADC Malachite Green Crystals
Aizen Malachite Green Crystals
Astra Malachite Green
Astra Malachite Green B
Astra Malachite Green BXX
Benzaldehyde green
Benzal Green
Burma Green B
Calcozine Green V
China Green
Diabasic Malachite Green
Diamond Green BX
Diamond Green B extra
Diamond Green P Extra
Green MX
Grenoble Green
Hidaco Malachite Green Base
Hidaco Malachite Green LC
Hidaco Malachite Green SC
Light Green N
Lincoln Green Toner B 15-2900
Malachite Green A
Malachite Green J 3E
Malachite Green AN
Malachite green chloride
Malachite Green CP
Malachite Green Crystals
Malachite Green Crystals BPC
Malachite Green Powder
Malachite Green WS
Malachite Lake Green A
Mitsui Malachite Green
New Victoria Green Extra I
New Victoria Green Extra O
New Victoria Green Extra II
Oji Malachite Green
Solid Green O
Solid Green Crystals O
Tertrophene Green M
Tokyo Aniline Malachite Green
Victoria Green
Victoria Green B
Victoria Green S
Victoria Green WPB
Malachite green
Basic Green 4
Aniline green
Malachite Green B
Aizen Malachite Green
Victoria Green (basic dye)
Verona Basic Green M
Atlantic Malachite Green
Basonyl Green 830
Super Ick Cure
Malachite Green XLS
Basonyl Green NB 832
Basacryl Green X-BF
Green Malaquite
LC 6220
Aizen malachite green liquid
Malachite Green 4
Diamond Green B
Astrazon Green M
Basic Light Green G 4
MKG
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 |
