HARMANE-1,2,3,4-TETRAHYDRO-3-CARBOXYLIC ACID Structure

HARMANE-1,2,3,4-TETRAHYDRO-3-CARBOXYLIC ACID

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)
FDA UNII 7FCJ1OW7OX
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
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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