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Molecule
New Fuchsine
CAS: 3248-91-7 · C22H24ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3248-91-7
- Molecular Formula
- C22H24ClN3
- Molecular Mass
- 365.91 g/mol
Identifiers
CAS Registry Number
3248-91-7
SMILES
CC1=CC(=C(c2ccc(N)c(C)c2)c2ccc(N)c(C)c2)C=CC1=N.Cl
InChI Key
IPSIPYMEZZPCPY-UHFFFAOYSA-N
InChI
InChI=1S/C22H23N3.ClH/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;/h4-12,23H,24-25H2,1-3H3;1H
Names and Synonyms
- New Fuchsine Common Name
- Benzenamine, 4,4′-[(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis[2-methyl-, hydrochloride (1:1) Synonym
- C.I. Basic Violet 2, monohydrochloride Synonym
- Benzenamine, 4-[(4-amino-3-methylphenyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride Synonym
- C.I. Basic Violet 2 Synonym
- New Fuchsin Synonym
- Benzenamine, 4,4′-[(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis[2-methyl-, monohydrochloride Synonym
- Calcozine New Fuchsine Synonym
- Magenta ABN Synonym
- Magenta III Synonym
- New Fuchsine G Crystal Synonym
- New Magenta Synonym
- New fuchsine Synonym
- Neofuchsine Synonym
- Astrazon Fuchsine GN Synonym
- Remacryl Magenta B Synonym
- Fuchsin NB Synonym
- Astra New Fuchsine G Synonym
- Basic Violet 2 Synonym
- Leather Ruby HF Synonym
- C.I. 42520 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 365.91 g/mol | CAS Common Chemistry |
| 365.90799999999996 g/mol | RDKit | |
| 365.908 g/mol | RDKit | |
| 365.905 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/New_fuchsine | CAS Common Chemistry |
| Canonical SMILES | Cl.N=C1C=CC(C=C1C)=C(C2=CC=C(N)C(=C2)C)C3=CC=C(N)C(=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H23N3.ClH/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;/h4-12,23H,24-25H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=IPSIPYMEZZPCPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | New Fuchsin | CAS Common Chemistry |
| Heavy Atom Count | 26 | 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 | 5.227410000000003 | RDKit |
| 5.2274 | RDKit | |
| Molar Refractivity | 115.07650000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1364 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 365.165875448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 365.91 g/mol. Edit any field — others recompute live.
