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L-Octahydroindole-2-carboxylic acid Structure

L-Octahydroindole-2-carboxylic acid

  • Product NameL-Octahydroindole-2-carboxylic acid
  • CAS80875-98-5
  • CBNumberCB3258000
  • MFC9H15NO2
  • MW169.22
  • EINECS617-180-7
  • MDL NumberMFCD07782125
  • MOL File80875-98-5.mol

Chemical Properties

Melting point: 275-277°C
Boiling point: 318.6±25.0 °C(Predicted)
Density  1.135±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Methanol (Sparingly), Water (Slightly)
pka 2.47±0.20(Predicted)
color  White to Off-White
PH -50 (c=1 in methanol)
Water Solubility  Soluble in methanol and water.
Major Application pharmaceutical
InChI InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
InChIKey CQYBNXGHMBNGCG-FXQIFTODSA-N
SMILES N1[C@]2([H])[C@@]([H])(CCCC2)C[C@H]1C(O)=O
LogP 0.3 at 25℃ and pH5
CAS DataBase Reference 80875-98-5(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements  36/37/38
Safety Statements  26-37
WGK Germany  WGK 3
HS Code  2933990099
Storage Class 11 - Combustible Solids
REACH Registrations Active
NFPA 704:
0
2 0

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L-Octahydroindole-2-carboxylic acid Spectrum