80875-98-5

Name L-Octahydroindole-2-carboxylic acid
CAS 80875-98-5
EINECS(EC#) 617-180-7
Molecular Formula C9H15NO2
MDL Number MFCD00171406
Molecular Weight 169.22
MOL File 80875-98-5.mol

Chemical Properties

Appearance White Solid
Melting point  275-277°C
Boiling point  318.6±25.0 °C(Predicted)
density  1.135±0.06 g/cm3(Predicted)
storage temp.  Store at 0°C
solubility  Methanol (Sparingly), Water (Slightly)
form  neat
pka 2.47±0.20(Predicted)
color  White to Off-White
PH -50 (c=1 in methanol)
Water Solubility  Soluble in methanol and water.
Usage An intermediate in the synthesis of Perindopril
Detection Methods T,NMR
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 Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements 
Safety Statements 
WGK Germany  WGK 3
REACH Registrations Active
HS Code  29339900
Storage Class 11 - Combustible Solids

Raw materials And Preparation Products

Hazard Information

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