gamma-Benzyl L-glutamate Structure

gamma-Benzyl L-glutamate

Chemical Properties

Melting point 181-182 °C(lit.)
alpha  27.2 º (c=2, 1N HCL)
Boiling point 379.78°C (rough estimate)
Density  1.2026 (rough estimate)
refractive index  1.5200 (estimate)
storage temp.  2-8°C
solubility  Acetic Acid (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  Powder
pka 2.20±0.10(Predicted)
color  White
optical activity [α]20/D +19±2°, c = 1% in acetic acid
BRN  1885646
InChI InChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1
InChIKey BGGHCRNCRWQABU-JTQLQIEISA-N
SMILES C(O)(=O)[C@H](CCC(OCC1=CC=CC=C1)=O)N
CAS DataBase Reference 1676-73-9(CAS DataBase Reference)
EPA Substance Registry System L-Glutamic acid, 5-(phenylmethyl) ester (1676-73-9)
UNSPSC Code 12352209
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements  22-24/25
WGK Germany  3
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29224999
NFPA 704:
1
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