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840-97-1

Name N-ACETYL-L-TYROSINE ETHYL ESTER
CAS 840-97-1
EINECS(EC#) 212-663-5
Molecular Formula C13H17NO4
MDL Number MFCD00002389
Molecular Weight 251.28
MOL File 840-97-1.mol

Chemical Properties

Melting point  78-81 °C
Boiling point  394.43°C (rough estimate)
density  1.1667 (rough estimate)
refractive index  22 ° (C=1, EtOH)
storage temp.  2-8°C
form  Solid
pka 9.75±0.15(Predicted)
color  White to off-white
Water Solubility  3.48g/L(28 ºC)
InChI InChI=1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKey SKAWDTAMLOJQNK-LBPRGKRZSA-N
SMILES C(OCC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O
LogP 0.592 (est)
CAS DataBase Reference 840-97-1(CAS DataBase Reference)
EPA Substance Registry System L-Tyrosine, N-acetyl-, ethyl ester (840-97-1)

Safety Data

Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
10-21
TSCA  TSCA listed

Hazard Information

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