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80828-13-3

Name Octahydro-1H-indole-2-carboxylic acid
CAS 80828-13-3
Molecular Formula C9H15NO2
MDL Number MFCD00171406
Molecular Weight 169.22
MOL File 80828-13-3.mol
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Chemical Properties

Appearance White Crystalline Solid
Melting point  233-234 °C (decomp)(Solv: 1,4-dioxane (123-91-1); water (7732-18-5))
Boiling point  318.6±25.0 °C(Predicted)
density  1.135±0.06 g/cm3(Predicted)
storage temp.  -15°C
solubility  Methanol (Slightly), Water (Slightly)
form  Solid
pka 2.47±0.20(Predicted)
color  White to Off-White
Usage Trandolapril intermediate
InChI InChI=1/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-/s3
InChIKey CQYBNXGHMBNGCG-VTCOHLDGNA-N
SMILES N1[C@@]2([H])[C@]([H])(CCCC2)C[C@@H]1C(O)=O |&1:1,3,10,r|
CAS DataBase Reference 80828-13-3(CAS DataBase Reference)

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P362+P364-P332+P313

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