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Chemical structure of Rhodamine-N3 chloride

GC61591

Rhodamine-N3 chloride

Also known as [9-[2-[4-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]piperazine-1-carbonyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride

Rhodamine-N3 chloride is an azide-rhodamine fluorescent dye that can be used to label biomolecules containing alkyne groups

ChemicalCAS2363751-90-8MW847.44FormulaC44H59ClN8O7
CAS number
2363751-90-8
Molecular weight
847.44
Formula
C44H59ClN8O7
Solubility
DMSO ： 3·33 mg/mL (3·93 mM; ultrasonic and warming and heat to 60°C); H2O ： < 0·1 mg/mL (insoluble)
InChIKey
JNDTZEVRHDBMAN-UHFFFAOYSA-N
Catalogue number
GC61591
Brand
GLPBIO
Computed properties PubChem CID 162642083 · TPSA 127 Ų · H-bond donors 1 · H-bond acceptors 11
TPSA
127 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
22
Heavy atoms
60

SMILES CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)N5CCN(CC5)C(=O)CCC(=O)NCCOCCOCCOCCN=[N+]=[N-].[Cl-]

Computed descriptors from PubChem (CID 162642083), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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