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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
Common Name
BB 7
Synonym
SBN Blue 701
Synonym
Aizen SBN Blue 701
Synonym
Basic Brilliant Blue BO
Synonym
Victoria Pure Blue BOH
Synonym
Vali Fast Blue 1603
Synonym
Basonyl Blue 636
Synonym
Victoria Blue BOH
Synonym
Aizen Victoria Blue BO
Synonym
Basic Blue 7
Synonym
Victoria Blue FBO
Synonym
Victoria Pure Lake Blue
Synonym
Victoria Blue BON 110
Synonym
Victoria Blue BO
Synonym
Sicilian Blue X 2758
Synonym
Victoria Pure Lake Blue BO
Synonym
Victoria Pure Ink Blue BO
Synonym
Victoria Pure Blue RB
Synonym
Victoria Pure Blue FBO
Synonym
Victoria Pure Blue BOP
Synonym
Victoria Pure Blue BON
Synonym
Victoria Pure Blue BOD
Synonym
Victoria Pure Blue BO CI 42595
Synonym
Victoria Pure Blue BOC
Synonym
Victoria Pure Blue BGO
Synonym
Victoria Blue, Green Shade
Synonym
Silosuper Blue B
Synonym
No. 3772 Forthbrite Blue B
Synonym
Mitsui Victoria Pure Blue BO
Synonym
Hidaco Victoria Blue BGO
Synonym
Eljon Blue Toner
Synonym
Calcozine Pure Blue BO
Synonym
Brilliant Victoria Blue RS
Synonym
Brilliant Victoria Blue RB
Synonym
Aizen Victoria Pure Blue BOH
Synonym
C.I. 42595
Synonym
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride
Synonym
C.I. Basic Blue 7
Synonym
Victoria Pure Blue BO
Synonym
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
Synonym
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 |