59512-17-3

Name rac-Ibuprofen amide
CAS 59512-17-3
EINECS(EC#) 261-793-9
Molecular Formula C13H19NO
MDL Number MFCD00454181
Molecular Weight 205.3
MOL File 59512-17-3.mol
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Chemical Properties

Melting point  110-114
Boiling point  356.1±21.0 °C(Predicted)
density  0.994±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 16.23±0.50(Predicted)
color  White
BRN  2448195
Major Application pharmaceutical small molecule
InChI 1S/C13H19NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)
InChIKey REUQKCDCQVNKLW-UHFFFAOYSA-N
SMILES CC(C(N)=O)C1=CC=C(CC(C)C)C=C1

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
WGK Germany  3
Hazard Note  Irritant
HS Code  2924190090
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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