181289-15-6

Name 3-Carbamoymethyl-5-methylhexanoic acid
CAS 181289-15-6
EINECS(EC#) 605-922-2
Molecular Formula C9H17NO4
MDL Number MFCD08457698
Molecular Weight 203.24
MOL File 181289-15-6.mol

Chemical Properties

Melting point  106-108°C
Boiling point  401.9±28.0 °C(Predicted)
density  1.080±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form  Solid
pka 4.68±0.10(Predicted)
color  White to Off-White
Major Application pharmaceutical small molecule
InChI InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)
InChIKey NPDKTSLVWGFPQG-UHFFFAOYSA-N
SMILES C(O)(=O)CC(CC(N)=O)CC(C)C
CAS DataBase Reference 181289-15-6(CAS DataBase Reference)

Safety Data

WGK Germany  WGK 3
HS Code  2924.19.8000
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Irrit. 2

Hazard Information

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