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Molecule
Rhodamine 6G
CAS: 989-38-8 · C28H31ClN2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 989-38-8
- Molecular Formula
- C28H31ClN2O3
- Molecular Mass
- 479.02 g/mol
Identifiers
CAS Registry Number
989-38-8
SMILES
CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C.[Cl-]
InChI Key
XFKVYXCRNATCOO-UHFFFAOYSA-M
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
Names and Synonyms
- Rhodamine 6G Common Name
- Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (1:1) Synonym
- Rhodamine GDN Extra Synonym
- Basonyl Red 483 Synonym
- Basonyl Red 482 Synonym
- Basic Red 1 Synonym
- Rh 6G Synonym
- R 6G Synonym
- Rhodamine 6JH-SA Synonym
- NSC 36345 Synonym
- Exciton 590 Synonym
- R 634 Synonym
- 6-Carboxyrhodamine Synonym
- 6GDN Synonym
- Rhodamine 6GCP Synonym
- Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride Synonym
- Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride Synonym
- C.I. 45160 Synonym
- Calcozine Red 6G Synonym
- Calcozine Rhodamine 6GX Synonym
- Eljon Pink Toner Synonym
- C.I. Basic Red 1 Synonym
- Fanal Pink GFK Synonym
- Fanal Red 25532 Synonym
- Heliostable Brilliant Pink B extra Synonym
- Mitsui Rhodamine 6GCP Synonym
- Nyco Liquid Red GF Synonym
- Rhodamine F 5G Synonym
- Rhodamine Y 20-7425 Synonym
- Rhodamine 4GD Synonym
- Rhodamine 4GH Synonym
- Rhodamine 5GDN Synonym
- Rhodamine 5GL Synonym
- Rhodamine 6GB Synonym
- Rhodamine 6GBN Synonym
- Rhodamine 6GDN Synonym
- Rhodamine 6GH Synonym
- Rhodamine 6G Extra Synonym
- Rhodamine 6GDN Extra Synonym
- Rhodamine 6G Extra Base Synonym
- Rhodamine 6GX Synonym
- Rhodamine 6JH Synonym
- Silosuper Pink B Synonym
- Rhodamine 6G Synonym
- Rhodamine Zh Synonym
- Rhodamine 6GEx ethyl ester Synonym
- Rhodamin 6G Synonym
- Rhodamine GDN Synonym
- Rhodamine 6GD Synonym
- Rhodamine 6Zh-DN Synonym
- Aizen Rhodamine 6GCP Synonym
- Rhodamine 6GO Synonym
- Rhodamine F 5GL Synonym
- Fanal Pink B Synonym
- Rhodamine 6G chloride Synonym
- Vali Fast Red 1308 Synonym
- Flexo Red 482 Synonym
- Rhodamine 6JH-SA Extra 1150 Synonym
- Rhodamine 5GDN Extra Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Rhodamine 6G | CAS Common Chemistry |
| Molecular Mass | 479.02 g/mol | CAS Common Chemistry |
| 479.0200000000002 g/mol | RDKit | |
| 479.017 g/mol | chempirical lib | |
| 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 |
| 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 |
| 59.59 Ų | chempirical lib | |
| LogP | 4.1952400000000045 | RDKit |
| 4.1952 | RDKit | |
| Molar Refractivity | 137.3208999999999 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 478.202320532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 479.02 g/mol. Edit any field — others recompute live.
