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Brilliant Green (Dye)
CAS: 633-03-4 | C27H34N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
633-03-4
Molecular Formula:
C27H34N2O4S
Molecular Weight:
482.6460000000001 g/mol
Names and Synonyms:
Brilliant Green (Dye)
Brilliant green aseptic
Basic Brilliant Green
Brilliant Green YNS
Brilliant Green
Brilliant Green Special
Tokyo Aniline Brilliant Green
Tertrophene Brilliant Green G
Solid Green
Mitsui Brilliant Green GX
Malachite Green G
Hidaco Brilliant Green
Green EN
Fast Green JJO
Fast Green J
Ethyl green
Diamond Green G
Deorlene Green JJO
Calcozine Brilliant Green G
Brilliant Lake Green Y
Brilliant Green YN
Brilliant Green WP Crystals
Brilliant Green Sulfate
Brilliant Green Lake
Brilliant Green GX
Brilliant Green DSC
Brilliant Green Crystals H
Brilliant Green Crystals
Brilliant Green Y
Brilliant Green P
Brilliant Green G
Brilliant Green B
Brilliant Green BP Crystals
Brilliant Green BPC
Basic Green V
Avon Green A 4379
Astra Diamond Green GX
Aizen Diamond Green GH
ADC Brilliant Green Crystals
C.I. 42040
12415 Green
C.I. Basic Green 1
Fluka Brilliant Green
Diamond Green GH
NSC 5011
Resplendency Green
Brilliant Green BP
Astrazon Green D
Basic Green 1
Basic Bright Green
Aizen Malachite Green GH
Basic Bright Green Sulfate
Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1)
Identifiers:
SMILES:
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)([O-])O
InChI:
InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
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 | 482.6460000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 482.22392856799985 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 34 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 83.68 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.958600000000004 | RDKit |
| cas-name | Brilliant Green None | Legacy Database |
| molecular_mass | 482.65 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Brilliant_green_(dye) None | Legacy Database |
| cas-canonical-smile | O=S(=O)([O-])O.C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=NNBFNNNWANBMTI-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 210 °C (decomp) None | Legacy Database |
| wikipedia-name | Brilliant green (dye) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 139.4223999999999 | RDKit |
