131980-30-8

Name BOC-L-3-CYANOPHENYLALANINE
CAS 131980-30-8
Molecular Formula C15H18N2O4
MDL Number MFCD00797560
Molecular Weight 290.31
MOL File 131980-30-8.mol
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Chemical Properties

Appearance off-white to light yellow crystalline powder
Melting point  124.1 °C
Boiling point  432.4°C (rough estimate)
density  1.1611 (rough estimate)
refractive index  1.6280 (estimate)
storage temp.  Store at 0°C
form  Solid
pka 3.75±0.10(Predicted)
Optical Rotation 26.2786° (C=0.7997 g/100ml, ETOH)
Major Application peptide synthesis
InChI 1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-5-4-6-11(7-10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKey FDQDHMZKOPOWFE-LBPRGKRZSA-N
SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)C#N)C(O)=O
CAS DataBase Reference 131980-30-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
HazardClass  6.1
HazardClass  IRRITANT
HS Code  29223900
Storage Class 11 - Combustible Solids

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