Melatonine

CAS	73-31-4
Structure
Synonyms	3-N-Acetyl-5-methoxyl tryptamine
IUPAC Name	N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular Weight	232.28
Molecular Formula	C13H16N2O2
Canonical SMILES	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
InChI	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChI Key	DRLFMBDRBRZALE-UHFFFAOYSA-N
Boiling Point	374 °C
Melting Point	116.5-118 °C(lit.)
Flash Point	9 °C
Purity	98%
Density	1.1099 g/cm³
Refractive Index	1.6450
pKa	16.26±0.46(Predicted)
Appearance	White to off-white powder