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Molecule
Victoria Blue B
CAS: 2580-56-5 · C33H32ClN3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2580-56-5
- Molecular Formula
- C33H32ClN3
- Molecular Mass
- 506.09 g/mol
Identifiers
CAS Registry Number
2580-56-5
SMILES
CN(C)c1ccc(C(=C2C=CC(=Nc3ccccc3)c3ccccc32)c2ccc(N(C)C)cc2)cc1.Cl
InChI Key
LLWJPGAKXJBKKA-UHFFFAOYSA-N
InChI
InChI=1S/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H
Names and Synonyms
- Victoria Blue B Synonym
- Lowacryl Blue 26 Synonym
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(phenylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1) Synonym
- Victoria Blue B Synonym
- C.I. Basic Blue 26 Synonym
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(phenylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride Synonym
- C.I. 44045 Synonym
- ADC Victoria Blue B Synonym
- Aizen Victoria Blue BH Synonym
- Calcozine Blue B Synonym
- Hecto Blue B Synonym
- Hidaco Victoria Blue B Synonym
- Mitsui Victoria Blue B Synonym
- Tertrophene Blue Synonym
- Victoria Blue BA Synonym
- Victoria Blue BN Synonym
- Victoria Blue BN CI 44045 Synonym
- Victoria Blue BP Synonym
- Victoria Blue BS Synonym
- Victoria Blue BX Synonym
- Victoria Blue FB Synonym
- Victoria Pure Blue B Synonym
- Victoria Pure Blue BC Synonym
- Flexo Blue 640 Synonym
- Victoria Blue BH Synonym
- Basazol C Blue 57 Synonym
- Victoria Blue B chloride Synonym
- Basic Blue 26 Synonym
- C-WR Blue 8 Synonym
- Basonyl Blue 640 Synonym
- Victoria Blue BSA Synonym
- Basic Blue B Synonym
- Conbasic Blue AK Synonym
- BTK Victoria Blue Synonym
- Basovict Victoria Blue Synonym
- Ravi Victoria Blue B Synonym
- Victoria Blue B 353 Synonym
- Victoria Blue Synonym
- Flexo Blue 630 Synonym
- Basic Victoria Blue B Synonym
- Victoria Blue 2B Synonym
- Basonyl Blue 644 Synonym
- Dycosbasic Victoria Blue B Synonym
- Libbase Victoria Blue LB Synonym
- Vitoria blue B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 506.09 g/mol | CAS Common Chemistry |
| 506.09300000000013 g/mol | RDKit | |
| 506.093 g/mol | RDKit | |
| Canonical SMILES | [Cl-].C=1C=CC(=CC1)NC2=CC=C(C=3C=CC=CC23)C(C4=CC=C(C=C4)N(C)C)=C5C=CC(C=C5)=[N+](C)C | CAS Common Chemistry |
| InChI | InChI=1S/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=LLWJPGAKXJBKKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Victoria Blue B | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 18.84 Ų | RDKit |
| 18.38 Ų | chempirical lib | |
| LogP | 7.890100000000007 | RDKit |
| 7.8901 | RDKit | |
| Molar Refractivity | 162.92299999999958 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1212 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 505.228475704 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
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MW = 506.09 g/mol. Edit any field — others recompute live.
