Chemical Properties of Melatonin (CAS 73-31-4)

Melatonin

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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
Formula
C13H16N2O2
SMILES
COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Molecular Weight1
232.28
CAS
73-31-4
Other Names
  • 5-Methoxy-N-acetyltryptamine
  • Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-
  • Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-
  • Circadin
  • Melatonine
  • N-(2-(5-methoxyindol-3-yl)ethyl)acetamide
  • N-Acetyl-5-methoxytryptamine
  • N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide
  • NSC 113928
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Physical Properties

Property Value Unit Source
IE [7.03; 7.70] eV Show Hide
IE 7.03 eV NIST
IE 7.70 eV NIST
log10WS -5.09 Aq. Sol...
logPoct/wat 1.373 Crippen Calculated Property
McVol 182.510 ml/mol McGowan Calculated Property
Inp 2451.90 NIST

Similar Compounds

N-Acetyl-5-hydroxytryptamine, trimethylsilyl ether. N-Methylserotonin. 5-Methoxytryptamine. 5-Hydroxytryptamine, DTFMB-TMS. 1H-Indole-3-ethanamine, 5-methoxy-N,N-dimethyl-. Indole, 3-(2-acetaminoethyl), 5-methoxy (Melatonin), TMS. Indole, 3-(2-acetaminoethyl), 6-hydroxy-5-methoxy (Hydroxymelatonin), TMS. Indole, 3-(2-propionylaminoethyl), 5-methoxy, TMS. 5-Hydroxytryptamine, 3-PFP. Bufotenin, monoTMS. 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 1. 5-Methoxytryptamine, iso-BOC. Indole, 3-(2-butanoylaminoethyl), 5-methoxy, TMS. Tryptamine, 1-PFP. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester.

Find more compounds similar to Melatonin.

Sources

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