71239-85-5

Name Boc-3-(2-pyridyl)-L-alanine
CAS 71239-85-5
Molecular Formula C13H18N2O4
MDL Number MFCD00191190
Molecular Weight 266.29
MOL File 71239-85-5.mol
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Chemical Properties

Appearance Off-white to beige powder
Melting point  141 °C(dec.)
alpha  -16.5 º (c=1% in methanol)
Boiling point  409.5°C (rough estimate)
density  1.1738 (rough estimate)
refractive index  1.6450 (estimate)
storage temp.  Store at 0-5°C
solubility  slightly sol. in Methanol
form  Solid
pka 3.09±0.10(Predicted)
color  White to Almost white
Optical Rotation [α]20/D 16.5±1.5°, c = 1% in methanol
BRN  6416850
Major Application peptide synthesis
InChI 1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKey KMODKKCXWFNEIK-JTQLQIEISA-N
SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(O)=O
CAS DataBase Reference 71239-85-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29333990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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