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(2S)-(1-Tetrahydropyramid-2-one)-3-methylbutanoic acid Structure

(2S)-(1-Tetrahydropyramid-2-one)-3-methylbutanoic acid

Chemical Properties

Melting point 166-168oC
Boiling point 440.8±24.0 °C(Predicted)
Density  1.176
vapor pressure  0-0Pa at 20-25℃
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.39±0.10(Predicted)
color  White to Beige
InChI InChI=1/C9H16N2O3/c1-6(2)7(8(12)13)11-5-3-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/s3
InChIKey AFGBRTKUTJQHIP-KPOCXSGKNA-N
SMILES N1(CCCNC1=O)[C@@H](C(C)C)C(O)=O |&1:7,r|
LogP 0.17 at 21℃
Surface tension 63.3-66.4mN/m at 100-1000mg/L and 20℃
CAS DataBase Reference 192725-50-1(CAS DataBase Reference)

Safety Information

Risk Statements  36
Safety Statements  26

Usage And Synthesis

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