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131724-45-3

Name (S)-N-Boc-4-Cyanophenylalanine
CAS 131724-45-3
Molecular Formula C15H18N2O4
MDL Number MFCD00672526
Molecular Weight 290.31
MOL File 131724-45-3.mol
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Chemical Properties

Appearance white to off-white powder
Melting point  152.3 °C
Boiling point  432.4°C (rough estimate)
density  1.1611 (rough estimate)
refractive index  1.6280 (estimate)
storage temp.  -15°C
form  Powder
pka 3.73±0.10(Predicted)
color  White
BRN  7715793
Major Application peptide synthesis
InChI 1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKey RMBLTLXJGNILPG-LBPRGKRZSA-N
SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C#N)C(O)=O
CAS DataBase Reference 131724-45-3(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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