2177-63-1

Name L-Aspartic acid 4-benzyl ester
CAS 2177-63-1
EINECS(EC#) 218-541-8
Molecular Formula C11H13NO4
MDL Number MFCD00037208
Molecular Weight 223.23
MOL File 2177-63-1.mol

Chemical Properties

Appearance Crystalline
Melting point  ~225 °C (dec.)
Boiling point  413.1±45.0 °C(Predicted)
density  1.283±0.06 g/cm3(Predicted)
refractive index  27 ° (C=1, 1mol/L HCl)
storage temp.  −20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 2.16±0.23(Predicted)
color  White
Water Solubility  Insoluble in water.
BRN  1983183
Major Application peptide synthesis
InChI 1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1
InChIKey VGALFAWDSNRXJK-VIFPVBQESA-N
SMILES N[C@@H](CC(=O)OCc1ccccc1)C(O)=O
CAS DataBase Reference 2177-63-1(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H315-H335
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  29242990
Storage Class 11 - Combustible Solids

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