946123-12-2

Name Coumarin 343 X NHS ester
CAS 946123-12-2
Molecular Formula C26H29N3O7
Molecular Weight 495.52
MOL File 946123-12-2.mol
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Chemical Properties

density  1.41±0.1 g/cm3(Predicted)
solubility  易溶于DCM, DMSO, DMF
pka 12.88±0.20(Predicted)
Appearance Yellow solid
ex/em 437/477 nm
ε(extinction coefficient) 39000 L⋅mol−1⋅cm−1
Φ(quantum yield) 0.63
InChI InChI=1S/C26H29N3O7/c30-20-9-10-21(31)29(20)36-22(32)8-2-1-3-11-27-25(33)19-15-17-14-16-6-4-12-28-13-5-7-18(23(16)28)24(17)35-26(19)34/h14-15H,1-13H2,(H,27,33)
InChIKey UTYUORAKIFFNAS-UHFFFAOYSA-N
SMILES C(ON1C(=O)CCC1=O)(=O)CCCCCNC(C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3)=O

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