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Rhodamine 6G

CAT: 0024-sc-280066ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-280066ASize:100 g
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CAS Number
989-38-8

Chemical Information

Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoate hydrochloride (1:1)

Rhodamine 6G is an organic chloride salt, a xanthene dye and a rhodamine 6G(1+). It has a role as a fluorochrome.

CAS Number989-38-8
PubChem CID13806
IUPAC Name[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium chloride
Molecular FormulaC28H31ClN2O3
Molecular Weight479.0
Topological Polar Surface Area61.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity823
SMILES
CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]
InChI
InChI=1S/C28H30N2O3.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;/h9-16,29H,6-8H2,1-5H3;1H
InChIKey
VYXSBFYARXAAKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoate hydrochloride (1:1)
CAS: 989-38-8
CID: 13806
Formula: C28H31ClN2O3
MW: 479.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass478.2023205
Monoisotopic Mass478.2023205
Topological Polar Surface Area61.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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