51871-62-6

Name (S)-3-(Boc-amino)-4-phenylbutyric acid
CAS 51871-62-6
Molecular Formula C15H21NO4
MDL Number MFCD01076271
Molecular Weight 279.33
MOL File 51871-62-6.mol
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Chemical Properties

Melting point  101-107 °C
Boiling point  444.8±38.0 °C(Predicted)
density  1.139
storage temp.  Store at?0-5°C
solubility  soluble in Methanol
form  powder to crystal
pka 4.43±0.10(Predicted)
color  White to Almost white
Optical Rotation [α]20/D 19.0±2°, c = 1% in methylene chloride
BRN  3060457
Major Application peptide synthesis
InChI 1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey ACKWQHCPHJQANL-LBPRGKRZSA-N
SMILES CC(C)(C)OC(=O)N[C@H](CC(O)=O)Cc1ccccc1
CAS DataBase Reference 51871-62-6(CAS DataBase Reference)

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  29242990
Storage Class 11 - Combustible Solids

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