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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
Lowacryl Blue 26
Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(phenylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)
Victoria Blue B
C.I. Basic Blue 26
Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(phenylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride
C.I. 44045
ADC Victoria Blue B
Aizen Victoria Blue BH
Calcozine Blue B
Hecto Blue B
Hidaco Victoria Blue B
Mitsui Victoria Blue B
Tertrophene Blue
Victoria Blue BA
Victoria Blue BN
Victoria Blue BN CI 44045
Victoria Blue BP
Victoria Blue BS
Victoria Blue BX
Victoria Blue FB
Victoria Pure Blue B
Victoria Pure Blue BC
Flexo Blue 640
Victoria Blue BH
Basazol C Blue 57
Victoria Blue B chloride
Basic Blue 26
C-WR Blue 8
Basonyl Blue 640
Victoria Blue BSA
Basic Blue B
Conbasic Blue AK
BTK Victoria Blue
Basovict Victoria Blue
Ravi Victoria Blue B
Victoria Blue B 353
Victoria Blue
Flexo Blue 630
Basic Victoria Blue B
Victoria Blue 2B
Basonyl Blue 644
Dycosbasic Victoria Blue B
Libbase Victoria Blue LB
Vitoria blue B
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 |
