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Boc-beta-cyclohexyl-D-alanine monohydrate Structure

Boc-beta-cyclohexyl-D-alanine monohydrate

Chemical Properties

Melting point 64-67 °C
Boiling point 420.4±28.0 °C(Predicted)
Density  1.083±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
pka 4.02±0.10(Predicted)
Appearance White to off-white Solid
optical activity Consistent with structure
InChI InChI=1/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/s3
InChIKey MSZQAQJBXGTSHP-LBPXTSNRNA-N
SMILES [C@@H](C(=O)O)(NC(=O)OC(C)(C)C)CC1CCCCC1 |&1:0,r|
CAS DataBase Reference 127095-92-5(CAS DataBase Reference)

Safety Information

WGK Germany  3
HazardClass  IRRITANT
HS Code  29225090

MSDS

Usage And Synthesis

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