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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 Mass:
479.02 g/mol
Names and Synonyms:
Rhodamine 6G
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (1:1)
Rhodamine GDN Extra
Basonyl Red 483
Basonyl Red 482
Basic Red 1
Rh 6G
R 6G
Rhodamine 6JH-SA
NSC 36345
Exciton 590
R 634
6-Carboxyrhodamine
6GDN
Rhodamine 6GCP
Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride
C.I. 45160
Calcozine Red 6G
Calcozine Rhodamine 6GX
Eljon Pink Toner
C.I. Basic Red 1
Fanal Pink GFK
Fanal Red 25532
Heliostable Brilliant Pink B extra
Mitsui Rhodamine 6GCP
Nyco Liquid Red GF
Rhodamine F 5G
Rhodamine Y 20-7425
Rhodamine 4GD
Rhodamine 4GH
Rhodamine 5GDN
Rhodamine 5GL
Rhodamine 6GB
Rhodamine 6GBN
Rhodamine 6GDN
Rhodamine 6GH
Rhodamine 6G Extra
Rhodamine 6GDN Extra
Rhodamine 6G Extra Base
Rhodamine 6GX
Rhodamine 6JH
Silosuper Pink B
Rhodamine 6G
Rhodamine Zh
Rhodamine 6GEx ethyl ester
Rhodamin 6G
Rhodamine GDN
Rhodamine 6GD
Rhodamine 6Zh-DN
Aizen Rhodamine 6GCP
Rhodamine 6GO
Rhodamine F 5GL
Fanal Pink B
Rhodamine 6G chloride
Vali Fast Red 1308
Flexo Red 482
Rhodamine 6JH-SA Extra 1150
Rhodamine 5GDN Extra
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 479.02 g/mol | CAS Common Chemistry |
| 479.0200000000002 g/mol | RDKit | |
| 478.202320532 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Rhodamine_6G | CAS Common Chemistry |
| Canonical SMILES | [Cl-].O=C(OCC)C=1C=CC=CC1C=2C=3C=C(C(=CC3[O+]=C4C=C(NCC)C(=CC42)C)NCC)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=XFKVYXCRNATCOO-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Rhodamine 6G | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 61.66 Ų | RDKit |
| LogP | 4.1952400000000045 | RDKit |
| Molar Refractivity | 137.3208999999999 | RDKit |
