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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.

External Resources

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

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