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57105-39-2

Name N-(3-Indolylacetyl)-L-alanine
CAS 57105-39-2
Molecular Formula C13H14N2O3
MDL Number MFCD00050395
Molecular Weight 246.26
MOL File 57105-39-2.mol
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Chemical Properties

Melting point  138-140 °C (lit.)
alpha  -21 º (c=1 in methanol)
Boiling point  601.2±45.0 °C(Predicted)
density  1.330±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 3.68±0.10(Predicted)
color  White to Off-White
Optical Rotation [α]24/D 21°, c = 1 in methanol
Major Application peptide synthesis
InChI 1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1
InChIKey FBDCJLXTUCMFLF-QMMMGPOBSA-N
SMILES C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  3
Storage Class 11 - Combustible Solids

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