652966-03-5

Name Atto 425
CAS 652966-03-5
Molecular Formula C22H27NO6
Molecular Weight 401.45
MOL File 652966-03-5.mol
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Chemical Properties

Boiling point  598.5±50.0 °C(Predicted)
density  1.213±0.06 g/cm3(Predicted)
storage temp.  -20°C
form  (Report result)
pka 4.40±0.10(Predicted)
InChI InChI=1S/C22H27NO6/c1-5-28-20(26)16-10-14-9-15-13(2)12-22(3,4)23(8-6-7-19(24)25)17(15)11-18(14)29-21(16)27/h9-11,13H,5-8,12H2,1-4H3,(H,24,25)
InChIKey WNDDWSAHNYBXKY-UHFFFAOYSA-N
SMILES N1(CCCC(O)=O)C2=C(C=C3C=C(C(OCC)=O)C(=O)OC3=C2)C(C)CC1(C)C

Safety Data

Storage Class 11 - Combustible Solids

Hazard Information

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