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Rhodamine 6G
CAS: 989-38-8 | C28H31ClN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
989-38-8
Molecular Formula:
C28H31ClN2O3
Molecular Weight:
479.0200000000002 g/mol
Names and Synonyms:
Rhodamine 6G
Rhodamine 5GDN Extra
Rhodamine 6JH-SA Extra 1150
Flexo Red 482
Vali Fast Red 1308
Rhodamine 6G chloride
Fanal Pink B
Rhodamine F 5GL
Rhodamine 6GO
Aizen Rhodamine 6GCP
Rhodamine 6Zh-DN
Rhodamine 6GD
Rhodamine GDN
Rhodamin 6G
Rhodamine 6GEx ethyl ester
Rhodamine Zh
Rhodamine 6G
Silosuper Pink B
Rhodamine 6JH
Rhodamine 6GX
Rhodamine 6G Extra Base
Rhodamine 6GDN Extra
Rhodamine 6G Extra
Rhodamine 6GH
Rhodamine 6GDN
Rhodamine 6GBN
Rhodamine 6GB
Rhodamine 5GL
Rhodamine 5GDN
Rhodamine 4GH
Rhodamine 4GD
Rhodamine Y 20-7425
Rhodamine F 5G
Nyco Liquid Red GF
Mitsui Rhodamine 6GCP
Heliostable Brilliant Pink B extra
Fanal Red 25532
Fanal Pink GFK
C.I. Basic Red 1
Eljon Pink Toner
Calcozine Rhodamine 6GX
Calcozine Red 6G
C.I. 45160
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride
Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride
Rhodamine 6GCP
6GDN
6-Carboxyrhodamine
R 634
Exciton 590
NSC 36345
Rhodamine 6JH-SA
R 6G
Rh 6G
Basic Red 1
Basonyl Red 482
Basonyl Red 483
Rhodamine GDN Extra
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (1:1)
Identifiers:
SMILES:
CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C.[Cl-]
InChI:
InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 479.02 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Rhodamine_6G None | Legacy Database |
| cas-canonical-smile | [Cl-].O=C(OCC)C=1C=CC=CC1C=2C=3C=C(C(=CC3[O+]=C4C=C(NCC)C(=CC42)C)NCC)C None | Legacy Database |
| cas-inchi | InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=XFKVYXCRNATCOO-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Rhodamine 6G None | Legacy Database |
| wikipedia-name | Rhodamine 6G None | Legacy Database |
| LogP | 4.1952400000000045 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 479.0200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 478.202320532 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 | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 61.66 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 137.3208999999999 | RDKit |
