13139-52-1

Name Z-D-GLN-OH
CAS 13139-52-1
Molecular Formula C13H16N2O5
MDL Number MFCD00065698
Molecular Weight 280.28
MOL File 13139-52-1.mol
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Chemical Properties

Melting point  138-142°C
Boiling point  604.2±55.0 °C(Predicted)
density  1.316
storage temp.  Store at RT.
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
form  Solid
pka 3.82±0.10(Predicted)
color  White to Off-White
Optical Rotation Consistent with structure
InChI InChI=1S/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m1/s1
InChIKey JIMLDJNLXLMGLX-SNVBAGLBSA-N
SMILES C(O)(=O)[C@@H](CCC(N)=O)NC(OCC1=CC=CC=C1)=O
CAS DataBase Reference 13139-52-1(CAS DataBase Reference)

Safety Data

Safety Statements 
WGK Germany  3
HS Code  29242990

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