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Victoria Blue R
CAS: 2185-86-6 | C29H32ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2185-86-6
Molecular Formula:
C29H32ClN3
Molecular Mass:
458.05 g/mol
Names and Synonyms:
Victoria Blue R
Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)
C.I. Basic Blue 11
Victoria Blue R
Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride
C.I. 44040
Hidaco Victoria Blue R
Victoria Blue RS
Victoria Lake Blue R
Basic Blue K
Aizen Victoria Blue BOH
Basic Blue 11
Dycosbasic Victoria Blue R
Basic Victoria Blue R
Conbasic Blue AA
Identifiers:
SMILES:
CCN=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc21.Cl
InChI:
InChI=1S/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;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 | 458.05 g/mol | CAS Common Chemistry |
| 458.04900000000015 g/mol | RDKit | |
| 457.228475704 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Victoria_blue_R | CAS Common Chemistry |
| Canonical SMILES | [Cl-].C=1C=CC2=C(C1)C(=CC=C2C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](C)C)NCC | CAS Common Chemistry |
| InChI | InChI=1S/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=JEVGKYBUANQAKG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Basic Blue 11 | CAS Common Chemistry |
| Victoria blue R | CAS Common Chemistry | |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 18.84 Ų | RDKit |
| LogP | 6.578300000000007 | RDKit |
| Molar Refractivity | 147.3619999999998 | RDKit |
