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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 Mass:
514.16 g/mol
Names and Synonyms:
Victoria Blue Bo
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
Victoria Pure Blue BO
C.I. Basic Blue 7
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride
C.I. 42595
Aizen Victoria Pure Blue BOH
Brilliant Victoria Blue RB
Brilliant Victoria Blue RS
Calcozine Pure Blue BO
Eljon Blue Toner
Hidaco Victoria Blue BGO
Mitsui Victoria Pure Blue BO
No. 3772 Forthbrite Blue B
Silosuper Blue B
Victoria Blue, Green Shade
Victoria Pure Blue BGO
Victoria Pure Blue BOC
Victoria Pure Blue BO CI 42595
Victoria Pure Blue BOD
Victoria Pure Blue BON
Victoria Pure Blue BOP
Victoria Pure Blue FBO
Victoria Pure Blue RB
Victoria Pure Ink Blue BO
Victoria Pure Lake Blue BO
Sicilian Blue X 2758
Victoria Blue BO
Victoria Blue BON 110
Victoria Pure Lake Blue
Victoria Blue FBO
Basic Blue 7
Aizen Victoria Blue BO
Victoria Blue BOH
Basonyl Blue 636
Vali Fast Blue 1603
Victoria Pure Blue BOH
Basic Brilliant Blue BO
Aizen SBN Blue 701
SBN Blue 701
BB 7
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 514.16 g/mol | CAS Common Chemistry |
| 514.1570000000003 g/mol | RDKit | |
| 513.2910759600001 g/mol | RDKit | |
| 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 |
| LogP | 8.138700000000005 | RDKit |
| Molar Refractivity | 165.82999999999956 | RDKit |
