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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 Weight:
337.854 g/mol
Names and Synonyms:
Fuchsine
Magenta DP
RGN 10 (dye)
RGB 20
RGN 10
Lowacryl Violet 14
C-WR Violet 8
Basic Violet 14
C.I. 42510
Fuchsine SBP
Fuchsin
Basic fuchsin
Fuchsin basic
Basic Fuchsine
Rosanilinium chloride
C.I. Basic Violet 14
Basic Magenta
Magenta I
Rosaniline hydrochloride
Rosaniline chloride
Orient Basic Magenta
Magenta superfine
Magenta Powder N
Magenta PN
Magenta S
Magenta G
Magenta E
Fuchsine RTN
Fuchsine HO
Fuchsine CS
Fuchsine Y
Fuchsine N
Fuchsine G
Fuchsine A
Fuchsine
Diamond Fuchsine
Diabasic Magenta
Cerise B
Calcozine Magenta XX
Calcozine Magenta RTN
Calcozine Fuchsine HO
Basic Magenta E 200
Astra Fuchsine B
Aizen Magenta
12418 Red
Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride
Rosaniline
C.I. Basic Violet 14, monohydrochloride
Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, hydrochloride (1:1)
Identifiers:
SMILES:
Cc1cc(C(=C2C=CC(=N)C=C2)c2ccc(N)cc2)ccc1N.Cl
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
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 | 337.85 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Fuchsine None | Legacy Database |
| cas-canonical-smile | Cl.N=C1C=CC(C=C1)=C(C2=CC=C(N)C=C2)C3=CC=C(N)C(=C3)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=NIKFYOSELWJIOF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 200 °C (decomp) None | Legacy Database |
| cas-name | Fuchsin None | Legacy Database |
| wikipedia-name | Fuchsine None | Legacy Database |
| LogP | 4.528890000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 337.854 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 337.13457532 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 75.89 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 105.72249999999998 | RDKit |
