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Chemical structure of BDP 581/591 carboxylic acid

GC59035

BDP 581/591 carboxylic acid

Also known as 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoic acid

BDP 581/591 carboxylic acid is a fluorescent dye (Ex=585 nm, Em=594 nm)

ChemicalCAS480999-04-0MW392.21FormulaC22H19N2BF2O2
CAS number
480999-04-0
Molecular weight
392.21
Formula
C22H19N2BF2O2
Solubility
good in DMF, DMSO, DCM
InChIKey
BNURWCMGIJOEAC-KBXRYBNXSA-N
Catalogue number
GC59035
Brand
GLPBIO
Computed properties PubChem CID 89403184 · TPSA 45.2 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
45.2 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

SMILES [B-]1(N2C(=CC=C2CCC(=O)O)C=C3[N+]1=C(C=C3)/C=C/C=C/C4=CC=CC=C4)(F)F

Computed descriptors from PubChem (CID 89403184), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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