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Fmoc-Ile-OH Structure

Fmoc-Ile-OH

Chemical Properties

Melting point 145-147 °C(lit.)
alpha  -12 º (c=1,DMF)
Boiling point 486.83°C (rough estimate)
Density  1.2107 (rough estimate)
refractive index  -12 ° (C=1, DMF)
storage temp.  2-8°C
solubility  Soluble in methanol (very faint turbidity).
form  Fine Crystalline Powder
pka 3.92±0.22(Predicted)
color  White
optical activity [α]20/D 12±1°, c = 1% in DMF
BRN  4716717
InChI InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m0/s1
InChIKey QXVFEIPAZSXRGM-DJJJIMSYSA-N
SMILES C(O)(=O)[C@H]([C@@H](C)CC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
CAS DataBase Reference 71989-23-6(CAS DataBase Reference)

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  22-24/25-36/37/39-27-26
WGK Germany  3
Hazard Note  Irritant
HS Code  2924 29 70
NFPA 704:
1
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