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108963-96-8

Name Boc-L-Pyroglutamic acid methyl ester
CAS 108963-96-8
EINECS(EC#) 600-890-6
Molecular Formula C11H17NO5
MDL Number MFCD06809720
Molecular Weight 243.26
MOL File 108963-96-8.mol
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Chemical Properties

Melting point  68-72 °C 69-74 °C
Boiling point  361.6±35.0 °C(Predicted)
density  1.209±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in dichloromethane.
form  powder to crystal
pka -4.28±0.40(Predicted)
color  White to Almost white
optical activity [α]22/D 32.0°, c = 0.5 in chloroform &_& [α]22/D -32°, c = 0.5% in chloroform
InChI InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey FNTAOUUEQHKLIU-ZETCQYMHSA-N
SMILES N1(C(OC(C)(C)C)=O)C(=O)CC[C@H]1C(OC)=O
CAS DataBase Reference 108963-96-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
HazardClass  9
HS Code  29337900

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