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Molecule
Fuchsine
CAS: 632-99-5 · C20H20ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 632-99-5
- Molecular Formula
- C20H20ClN3
- Molecular Mass
- 337.85 g/mol
Identifiers
CAS Registry Number
632-99-5
SMILES
Cc1cc(C(=C2C=CC(=N)C=C2)c2ccc(N)cc2)ccc1N.Cl
InChI Key
NIKFYOSELWJIOF-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H
Names and Synonyms
- Fuchsine Common Name
- Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, hydrochloride (1:1) Synonym
- C.I. Basic Violet 14, monohydrochloride Synonym
- Rosaniline Synonym
- Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride Synonym
- 12418 Red Synonym
- Aizen Magenta Synonym
- Astra Fuchsine B Synonym
- Basic Magenta E 200 Synonym
- Calcozine Fuchsine HO Synonym
- Calcozine Magenta RTN Synonym
- Calcozine Magenta XX Synonym
- Cerise B Synonym
- Diabasic Magenta Synonym
- Diamond Fuchsine Synonym
- Fuchsine Synonym
- Fuchsine A Synonym
- Fuchsine G Synonym
- Fuchsine N Synonym
- Fuchsine Y Synonym
- Fuchsine CS Synonym
- Fuchsine HO Synonym
- Fuchsine RTN Synonym
- Magenta E Synonym
- Magenta G Synonym
- Magenta S Synonym
- Magenta DP Synonym
- Magenta PN Synonym
- Magenta Powder N Synonym
- Magenta superfine Synonym
- Orient Basic Magenta Synonym
- Rosaniline chloride Synonym
- Rosaniline hydrochloride Synonym
- Magenta I Synonym
- Basic Magenta Synonym
- C.I. Basic Violet 14 Synonym
- Rosanilinium chloride Synonym
- Basic Fuchsine Synonym
- Fuchsin basic Synonym
- Basic fuchsin Synonym
- Fuchsin Synonym
- Fuchsine SBP Synonym
- C.I. 42510 Synonym
- Basic Violet 14 Synonym
- C-WR Violet 8 Synonym
- Lowacryl Violet 14 Synonym
- RGN 10 Synonym
- RGB 20 Synonym
- RGN 10 (dye) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.85 g/mol | CAS Common Chemistry |
| 337.854 g/mol | RDKit | |
| 337.851 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fuchsine | CAS Common Chemistry |
| Canonical SMILES | Cl.N=C1C=CC(C=C1)=C(C2=CC=C(N)C=C2)C3=CC=C(N)C(=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NIKFYOSELWJIOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C (decomp) | CAS Common Chemistry |
| Name | Fuchsin | CAS Common Chemistry |
| Fuchsine | CAS Common Chemistry | |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 75.89 Ų | RDKit |
| LogP | 4.528890000000002 | RDKit |
| 4.5289 | RDKit | |
| Molar Refractivity | 105.72249999999998 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.05 | RDKit |
| Exact Mass | 337.13457532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 337.85 g/mol. Edit any field — others recompute live.
