127095-92-5

Name Boc-beta-cyclohexyl-D-alanine monohydrate
CAS 127095-92-5
Molecular Formula C14H29NO6
MDL Number MFCD03839364
Molecular Weight 307.38
MOL File 127095-92-5.mol
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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.  −20°C
pka 4.02±0.10(Predicted)
Appearance White to off-white Solid
Optical Rotation 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 Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
WGK Germany  3
HazardClass  IRRITANT
HS Code  29225090

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