80102-29-0

Name BOC-D-2-Methylphe
CAS 80102-29-0
Molecular Formula C15H21NO4
MDL Number MFCD00671403
Molecular Weight 279.33
MOL File 80102-29-0.mol
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Chemical Properties

Melting point  116°C
alpha  16 º (c=1,MeOH)
Boiling point  442.5±40.0 °C(Predicted)
density  1.140±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
pka 3.92±0.11(Predicted)
Appearance White to off-white Solid
Optical Rotation Consistent with structure
Major Application peptide synthesis
InChI 1S/C15H21NO4/c1-10-7-5-6-8-11(10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKey PCGOCPOJLMLJAR-GFCCVEGCSA-N
SMILES Cc1ccccc1C[C@@H](NC(=O)OC(C)(C)C)C(O)=O
CAS DataBase Reference 80102-29-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
WGK Germany  3
HazardClass  IRRITANT
HS Code  2922498590
Storage Class 11 - Combustible Solids

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