ethyl 2-[(3E)-6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate hydrochloride

• ChemBase ID: 105974
• Molecular Formular: C28H31ClN2O3
• Molecular Mass: 479.01034
• Monoisotopic Mass: 478.20232054
• SMILES: Cl.CCNc1cc2oc3c/c(=N\CC)/c(C)cc3c(c3ccccc3C(=O)OCC)c2cc1C
• Canonical SMILES: CCOC(=O)c1ccccc1c1c2cc(C)/c(=N/CC)/cc2oc2c1cc(C)c(c2)NCC.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

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(3E)-6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate hydrochloride; ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate hydrochloride
• IUPAC Traditional name: ethyl 2-[(6E)-3-(ethylamino)-6-(ethylimino)-2,7-dimethylxanthen-9-yl]benzoate hydrochloride; ethyl 2-[3-(ethylamino)-6-(ethylimino)-2,7-dimethylxanthen-9-yl]benzoate hydrochloride
• Synonyms: Rhodamine 6G; Rhodamine 590, R6G; Rh6G; C.I. Pigment Red 81, C.I. Pigment Red 169, Basic Rhodamine YellowG; Basic Red 1; C.I. 45160; RHODAMINE 6G; 碱性红 1; 罗丹明 6G

Database IDs

• CAS Number: 989-38-8
• EC Number: 213-584-9
• MDL Number: MFCD00012665
• Beilstein Number: 3900071
• PubChem SID: 24888134; 162093878; 24855209; 24899367; 24888133
• PubChem CID: 235227
• CHEMBL: 1185241
• Chemspider ID: 16736263
• KEGG ID: C11177
• Wikipedia Title: Rhodamine_6G
• Color Index Number: 45160

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.627902
• LogD (pH = 7.4): 5.328475
• Log P: 5.350967
• Molar Refractivity: 146.9925 cm^3
• Polarizability: 50.481087 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 20 g/l (25 °C) in water; 400 g/l in methanol
• Apperance: dark reddish purple, brown or black crystalline solid
• Melting Point: 290°C
• Density: 1.26 g/cm^3
• Absorption Wavelength: λmax 524 nm
• Fluorescence: λex 528 nm; λem 551 nm in methanol

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DH0175000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: Dye Content ~95%
• Grade: for microscopy
• Compostion: Dye content, ~95%; Dye content, 99%
• Suitability: suitable for fluorescence
• Product Line: BioReagent
• Linear Formula: C28H31N2O3Cl

DETAILS

MP Biomedicals - 02195484

Dye content: ~ 95%

Sigma Aldrich - 83697

Analysis Note
λmax. ～530 nm, E(1%/1cm) ～2000-2300 (96% Ethanol)
Biochem/physiol Actions
A rhodamine analog useful in Pgp efflux assays. Has been used to characterize kinetics of MRP1- mediated efflux.

Sigma Aldrich - R4127

Biochem/physiol Actions
罗丹明类似物，可用于 Pgp 外排试验。已用于鉴定 MRP1 介导的外排作用的动力学。
包装
5, 25, 100 g in glass bottle

Sigma Aldrich - 252433

Application
Suitable as laser dye
Biochem/physiol Actions
A rhodamine analog useful in Pgp efflux assays. Has been used to characterize kinetics of MRP1- mediated efflux.
Features and Benefits
Powerful dye.
Packaging
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 83698

Analysis Note
λmax. ～524 nm, E(1%/1cm) ～1700-2000 (Wasser)
Biochem/physiol Actions
A rhodamine analog useful in Pgp efflux assays. Has been used to characterize kinetics of MRP1- mediated efflux.