Back to Search
Victoria Blue B
CAS: 2580-56-5 | C33H32ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2580-56-5
Molecular Formula:
C33H32ClN3
Molecular Weight:
506.09300000000013 g/mol
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
Identifiers:
SMILES:
CN(C)c1ccc(C(=C2C=CC(=Nc3ccccc3)c3ccccc32)c2ccc(N(C)C)cc2)cc1.Cl
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
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 | 506.09300000000013 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 505.228475704 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 | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.84 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.890100000000007 | RDKit |
| molecular_mass | 506.09 g/mol | Legacy Database |
| cas-canonical-smile | [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 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=LLWJPGAKXJBKKA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Victoria Blue B None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 162.92299999999958 | RDKit |