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Molecule
Victoria Blue Bo
CAS: 2390-60-5 · C33H40ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2390-60-5
- Molecular Formula
- C33H40ClN3
- Molecular Mass
- 514.16 g/mol
Identifiers
CAS Registry Number
2390-60-5
SMILES
CCN=C1C=CC(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc21.Cl
InChI Key
ROVRRJSRRSGUOL-UHFFFAOYSA-N
InChI
InChI=1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H
Names and Synonyms
- Victoria Blue Bo Common Name
- Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1) Synonym
- Victoria Pure Blue BO Synonym
- C.I. Basic Blue 7 Synonym
- Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride Synonym
- C.I. 42595 Synonym
- Aizen Victoria Pure Blue BOH Synonym
- Brilliant Victoria Blue RB Synonym
- Brilliant Victoria Blue RS Synonym
- Calcozine Pure Blue BO Synonym
- Eljon Blue Toner Synonym
- Hidaco Victoria Blue BGO Synonym
- Mitsui Victoria Pure Blue BO Synonym
- No. 3772 Forthbrite Blue B Synonym
- Silosuper Blue B Synonym
- Victoria Blue, Green Shade Synonym
- Victoria Pure Blue BGO Synonym
- Victoria Pure Blue BOC Synonym
- Victoria Pure Blue BO CI 42595 Synonym
- Victoria Pure Blue BOD Synonym
- Victoria Pure Blue BON Synonym
- Victoria Pure Blue BOP Synonym
- Victoria Pure Blue FBO Synonym
- Victoria Pure Blue RB Synonym
- Victoria Pure Ink Blue BO Synonym
- Victoria Pure Lake Blue BO Synonym
- Sicilian Blue X 2758 Synonym
- Victoria Blue BO Synonym
- Victoria Blue BON 110 Synonym
- Victoria Pure Lake Blue Synonym
- Victoria Blue FBO Synonym
- Basic Blue 7 Synonym
- Aizen Victoria Blue BO Synonym
- Victoria Blue BOH Synonym
- Basonyl Blue 636 Synonym
- Vali Fast Blue 1603 Synonym
- Victoria Pure Blue BOH Synonym
- Basic Brilliant Blue BO Synonym
- Aizen SBN Blue 701 Synonym
- SBN Blue 701 Synonym
- BB 7 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 514.16 g/mol | CAS Common Chemistry |
| 514.1570000000003 g/mol | RDKit | |
| 514.157 g/mol | RDKit | |
| 514.154 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Victoria_blue_BO | CAS Common Chemistry |
| Canonical SMILES | [Cl-].C=1C=CC2=C(C1)C(=CC=C2C(C3=CC=C(C=C3)N(CC)CC)=C4C=CC(C=C4)=[N+](CC)CC)NCC | CAS Common Chemistry |
| InChI | InChI=1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ROVRRJSRRSGUOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Basic Blue 7 | CAS Common Chemistry |
| Victoria blue BO | CAS Common Chemistry | |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 18.84 Ų | RDKit |
| 18.38 Ų | chempirical lib | |
| LogP | 8.138700000000005 | RDKit |
| 8.1387 | RDKit | |
| 7.65 | chempirical lib | |
| Molar Refractivity | 165.82999999999956 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.303 | RDKit |
| 0.3 | chempirical lib | |
| Exact Mass | 513.2910759600001 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.
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MW = 514.16 g/mol. Edit any field — others recompute live.
