BDP 558/568 amine

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BDP 558/568 amine

BDP 558/568 amine

Catalog Number F01-0001
Category BODIPY
Molecular Formula C22H28N4BClF2OS
Molecular Weight 480.81
Catalog Number Size Price Quantity
F01-0001 -- $--

Product Introduction

Primary amine is a versatile functional group for bioconjugation. It is reactive against activated carboxylic acid derivatives like pentafluorophenyl esters and acyl halogenides, other electrophiles like epoxides, Michael acceptors like acrylates. It can aminate carbonyl compounds like aldehydes and ketones in reductive conditions.BDP 558/568 is a universal borondipyrromethene dye with the emission in orange/yellow part of the spectrum.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[3-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanoylamino]hexylazanium;chloride
Canonical SMILES [B-]1(N2C(=CC=C2CCC(=O)NCCCCCC[NH3+])C=C3[N+]1=C(C=C3)C4=CC=CS4)(F)F.[Cl-]
InChI InChI=1S/C22H27BF2N4OS.ClH/c24-23(25)28-17(10-12-22(30)27-14-4-2-1-3-13-26)7-8-18(28)16-19-9-11-20(29(19)23)21-6-5-15-31-21;/h5-9,11,15-16H,1-4,10,12-14,26H2,(H,27,30);1H
InChI Key MMOJMTDAFSMAIK-UHFFFAOYSA-N
Solubility good in DMF, DMSO
Appearance dark colored powder
  • Product Specification
ε, L⋅mol-1⋅cm-1 84400
Excitation 561
Emission 569
Storage 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Computed Properties

Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 480.1733469 g/mol
Monoisotopic Mass 480.1733469 g/mol
Topological Polar Surface Area 92.9Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 773
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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