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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 Weight:
514.1570000000003 g/mol
Names and Synonyms:
Victoria Blue Bo
BB 7
SBN Blue 701
Aizen SBN Blue 701
Basic Brilliant Blue BO
Victoria Pure Blue BOH
Vali Fast Blue 1603
Basonyl Blue 636
Victoria Blue BOH
Aizen Victoria Blue BO
Basic Blue 7
Victoria Blue FBO
Victoria Pure Lake Blue
Victoria Blue BON 110
Victoria Blue BO
Sicilian Blue X 2758
Victoria Pure Lake Blue BO
Victoria Pure Ink Blue BO
Victoria Pure Blue RB
Victoria Pure Blue FBO
Victoria Pure Blue BOP
Victoria Pure Blue BON
Victoria Pure Blue BOD
Victoria Pure Blue BO CI 42595
Victoria Pure Blue BOC
Victoria Pure Blue BGO
Victoria Blue, Green Shade
Silosuper Blue B
No. 3772 Forthbrite Blue B
Mitsui Victoria Pure Blue BO
Hidaco Victoria Blue BGO
Eljon Blue Toner
Calcozine Pure Blue BO
Brilliant Victoria Blue RS
Brilliant Victoria Blue RB
Aizen Victoria Pure Blue BOH
C.I. 42595
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride
C.I. Basic Blue 7
Victoria Pure Blue BO
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
Identifiers:
SMILES:
CCN=C1C=CC(=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc21.Cl
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 514.1570000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 513.2910759600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 37 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 9 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.84 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 8.138700000000005 | RDKit |
| molecular_mass | 514.16 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Victoria_blue_BO None | Legacy Database |
| cas-canonical-smile | [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 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=ROVRRJSRRSGUOL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Basic Blue 7 None | Legacy Database |
| wikipedia-name | Victoria blue BO None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 165.82999999999956 | RDKit |
