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N-tert-Butoxycarbonyl-4-cyanophenyl-D-alanine Structure

N-tert-Butoxycarbonyl-4-cyanophenyl-D-alanine

Chemical Properties

Melting point 152.6 °C
Boiling point 432.4°C (rough estimate)
Density  1.1611 (rough estimate)
refractive index  1.6280 (estimate)
storage temp.  Sealed in dry,2-8°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 3.73±0.10(Predicted)
Appearance White to off-white Solid
optical activity Consistent with structure
BRN  9339089
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-/m1/s1
InChIKey RMBLTLXJGNILPG-GFCCVEGCSA-N
SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)C#N)C(O)=O
CAS DataBase Reference 146727-62-0(CAS DataBase Reference)

Safety Information

Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  36/37
WGK Germany  3
HazardClass  IRRITANT
HazardClass  6.1
HS Code  29223900
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

N-tert-Butoxycarbonyl-4-cyanophenyl-D-alanine Supplier