81306-93-6

Name N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine
CAS 81306-93-6
Molecular Formula C16H22N2O6
MDL Number MFCD18252750
Molecular Weight 338.36
MOL File 81306-93-6.mol
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Chemical Properties

Melting point  78.5-81.3 °C
Boiling point  548.7±50.0 °C(Predicted)
density  1.235±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  2-8°C
pka 3.68±0.10(Predicted)
Appearance White to off-white Solid
InChI InChI=1S/C16H22N2O6/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m1/s1
InChIKey QKMSMVGTLTVHLK-GFCCVEGCSA-N
SMILES C(O)(=O)[C@@H](CNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

Spectrum Detail

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