181289-33-8

Name (R)-(-)-3-Carbamoymethyl-5-methylhexanoic acid
CAS 181289-33-8
EINECS(EC#) 605-923-8
Molecular Formula C9H17NO3
MDL Number MFCD09028111
Molecular Weight 187.236
MOL File 181289-33-8.mol

Chemical Properties

Melting point  128-133°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)
form  Solid
pka 4.68±0.10(Predicted)
color  White to Off-White
Optical Rotation -6.5461°(C=1.0048g/100ml DMF)
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)/t7-/m1/s1
InChIKey NPDKTSLVWGFPQG-SSDOTTSWSA-N
SMILES C(O)(=O)C[C@@H](CC(N)=O)CC(C)C
CAS DataBase Reference 181289-33-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H335-H315-H302
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
WGK Germany  WGK 3
REACH Registrations Inactive
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Irrit. 2

Hazard Information

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