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Harmane-1,2,3,4-tetrahydro-3-carboxylic acid Structure

Harmane-1,2,3,4-tetrahydro-3-carboxylic acid

  • Product NameHarmane-1,2,3,4-tetrahydro-3-carboxylic acid
  • CAS5470-37-1
  • CBNumberCB2376044
  • MFC13H14N2O2
  • MW230.26
  • MDL NumberMFCD00022199
  • MOL File5470-37-1.mol

Chemical Properties

Melting point: 242-243 °C (decomp)
Boiling point: 488.0±45.0 °C(Predicted)
Density  1.301±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  Methanol (Slightly, Heated)
form  Solid
pka 2.29±0.40(Predicted)
color  White to Off-White
Major Application food and beverages
pharmaceutical
InChI 1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)
InChIKey ZUPHXNBLQCSEIA-UHFFFAOYSA-N
SMILES CC1NC(Cc2c1[nH]c3ccccc23)C(O)=O
CAS DataBase Reference 5470-37-1(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H317-H319
Precautionary statements  P280-P305+P351+P338
Hazard Codes  Xi
RIDADR  1544
WGK Germany  3
HazardClass  6.1(b)
PackingGroup  III

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