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1738-77-8

Name L-Leucine benzyl ester p-toluenesulfonate salt
CAS 1738-77-8
EINECS(EC#) 217-095-1
Molecular Formula C20H27NO5S
MDL Number MFCD00066117
Molecular Weight 393.5
MOL File 1738-77-8.mol
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Chemical Properties

Melting point  153-160 °C
refractive index  5 ° (C=2, DMF)
storage temp.  2-8°C
solubility  soluble in Methanol
form  powder to crystal
color  White to Almost white
Optical Rotation [α]20/D +5.0±0.3°, c = 2% in DMF
BRN  3566840
InChI InChI=1/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/s3
InChIKey QTQGHKVYLQBJLO-ZLBVLXFENA-N
SMILES C1(S(=O)(=O)O)C=CC(C)=CC=1.C1(=CC=CC=C1)COC(=O)[C@@H](N)CC(C)C |&1:21,r|
CAS DataBase Reference 1738-77-8(CAS DataBase Reference)

Safety Data

Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  29242990

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