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Chemical structure of BDP 630/650 amine

GC59113

BDP 630/650 amine

Also known as N-(6-aminohexyl)-2-[4-[(E)-2-(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)ethenyl]phenoxy]acetamide;hydrochloride

BDP 630/650 amine is a far-red luminescent, boron-dipyridyl fluorophore

ChemicalCAS2183473-00-7MW584.92FormulaC29H32N4BClF2O2S
CAS number
2183473-00-7
Molecular weight
584.92
Formula
C29H32N4BClF2O2S
Solubility
moderately soluble in water (81 mM = 47·2 mg/mL), well soluble in DMF, DMSO, alcohols
InChIKey
DTXGFXJOYRBDIB-HCUGZAAXSA-N
Catalogue number
GC59113
Brand
GLPBIO
Computed properties PubChem CID 145711348 · TPSA 101 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
101 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
40

SMILES [B-]1(N2C(=CC=C2/C=C/C3=CC=C(C=C3)OCC(=O)NCCCCCCN)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F.Cl

Computed descriptors from PubChem (CID 145711348), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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