TAMRA amine, 5-isomer

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TAMRA amine, 5-isomer

TAMRA amine, 5-isomer | 2158336-48-0

Catalog Number F07-0020
Category TAMRA
Molecular Formula C31H37ClN4O4
Molecular Weight 565.1
Catalog Number Size Price Quantity
F07-0020 -- $--

Product Introduction

TAMRA amine, 5-isomer is a rhodamine dye with excitation/emission maximum 553/575 nm. The amine group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc.

Chemical Information

Synonyms 5-((6-Aminohexyl)carbamoyl)-2-(3,6-bis(dimethylamino)xanthylium-9-yl)benzoate hydrochloride
Purity 95%
IUPAC Name 5-(6-aminohexylcarbamoyl)-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;hydrochloride
Canonical SMILES CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCCCCCN)C(=O)[O-].Cl
InChI InChI=1S/C31H36N4O4.ClH/c1-34(2)21-10-13-24-27(18-21)39-28-19-22(35(3)4)11-14-25(28)29(24)23-12-9-20(17-26(23)31(37)38)30(36)33-16-8-6-5-7-15-32;/h9-14,17-19H,5-8,15-16,32H2,1-4H3,(H-,33,36,37,38);1H
InChI Key VPOLLACBGNYGIN-UHFFFAOYSA-N
Solubility DMF, DMSO, alcohols
  • Product Specification
Fluorescence Quantum Yield 0.10
Excitation 541
Emission 567
Storage -20 °C

Computed Properties

Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 564.2503334 g/mol
Monoisotopic Mass 564.2503334 g/mol
Topological Polar Surface Area 111Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 990
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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