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5891-45-2

Name Z-GLU-OTBU
CAS 5891-45-2
EINECS(EC#) 2017-001-1
Molecular Formula C17H23NO6
MDL Number MFCD00077016
Molecular Weight 337.37
MOL File 5891-45-2.mol
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Chemical Properties

Melting point  81.0 to 85.0 °C
Boiling point  522.6±50.0 °C(Predicted)
density  1?+-.0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Solid
pka 4.48±0.10(Predicted)
color  White to Almost white
Optical Rotation Consistent with structure
InChI InChI=1S/C17H23NO6/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKey VJECGKAFPHEJQS-ZDUSSCGKSA-N
SMILES C(OC(C)(C)C)(=O)[C@H](CCC(O)=O)NC(OCC1=CC=CC=C1)=O
CAS DataBase Reference 5891-45-2(CAS DataBase Reference)

Safety Data

HS Code  2924.29.9500

Hazard Information

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