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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 Mass:
482.65 g/mol
Names and Synonyms:
Brilliant Green (Dye)
Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1)
Basic Bright Green Sulfate
Aizen Malachite Green GH
Basic Bright Green
Basic Green 1
Astrazon Green D
Brilliant Green BP
Resplendency Green
NSC 5011
Diamond Green GH
Fluka Brilliant Green
C.I. Basic Green 1
12415 Green
C.I. 42040
ADC Brilliant Green Crystals
Aizen Diamond Green GH
Astra Diamond Green GX
Avon Green A 4379
Basic Green V
Brilliant Green BPC
Brilliant Green BP Crystals
Brilliant Green B
Brilliant Green G
Brilliant Green P
Brilliant Green Y
Brilliant Green Crystals
Brilliant Green Crystals H
Brilliant Green DSC
Brilliant Green GX
Brilliant Green Lake
Brilliant Green Sulfate
Brilliant Green WP Crystals
Brilliant Green YN
Brilliant Lake Green Y
Calcozine Brilliant Green G
Deorlene Green JJO
Diamond Green G
Ethyl green
Fast Green J
Fast Green JJO
Green EN
Hidaco Brilliant Green
Malachite Green G
Mitsui Brilliant Green GX
Solid Green
Tertrophene Brilliant Green G
Tokyo Aniline Brilliant Green
Brilliant Green Special
Brilliant Green
Brilliant Green YNS
Basic Brilliant Green
Brilliant green aseptic
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
Key Properties
Melting Point
210 °C (decomp)
CAS Common Chemistry
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 | 482.65 g/mol | CAS Common Chemistry |
| 482.6460000000001 g/mol | RDKit | |
| 482.22392856799985 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Brilliant_green_(dye) | CAS Common Chemistry |
| Canonical SMILES | 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 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=NNBFNNNWANBMTI-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 210 °C (decomp) | CAS Common Chemistry |
| Name | Brilliant Green | CAS Common Chemistry |
| Brilliant green (dye) | CAS Common Chemistry | |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 83.68 Ų | RDKit |
| LogP | 4.958600000000004 | RDKit |
| Molar Refractivity | 139.4223999999999 | RDKit |
