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175453-07-3

Name (S)-N-Fmoc-(3-Pyridyl)alanine
CAS 175453-07-3
Molecular Formula C23H20N2O4
MDL Number MFCD00144887
Molecular Weight 388.42
MOL File 175453-07-3.mol
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Chemical Properties

Appearance white to off-white crystalline powder
Melting point  155.3 °C
Boiling point  514.13°C (rough estimate)
density  1.2692 (rough estimate)
refractive index  1.6300 (estimate)
storage temp.  2-8°C
form  Solid
pka 3.32±0.10(Predicted)
color  White to off-white
Optical Rotation Consistent with structure
BRN  9154190
Major Application peptide synthesis
InChI InChI=1/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/s3
InChIKey JQLPMTXRCLXOJO-DLINEHSKNA-N
SMILES C1(COC(=O)N[C@H](C(=O)O)CC2C=NC=CC=2)C2C=CC=CC=2C2C=CC=CC1=2 |&1:6,r|
CAS DataBase Reference 175453-07-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29333990
Storage Class 11 - Combustible Solids

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