138775-22-1

Name Fmoc-N-methyl-L-isoleucine
CAS 138775-22-1
Molecular Formula C22H25NO4
MDL Number MFCD00153389
Molecular Weight 367.44
MOL File 138775-22-1.mol
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Chemical Properties

Melting point  177-183 °C
Boiling point  537.3±29.0 °C(Predicted)
density  1.194±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in water or 1% acetic acid
form  Solid
pka 3.94±0.22(Predicted)
color  White to Almost white
Optical Rotation [α]20/D 59±2°, c = 1% in DMF
BRN  7548444
InChI InChI=1S/C22H25NO4/c1-4-14(2)20(21(24)25)23(3)22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,4,13H2,1-3H3,(H,24,25)/t14-,20-/m0/s1
InChIKey IQIOLCJHRZWOLS-XOBRGWDASA-N
SMILES C(O)(=O)[C@H]([C@@H](C)CC)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C
CAS DataBase Reference 138775-22-1(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P271-P261
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  2924 29 70

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