# Melatonin (CAS 73-31-4)

CAS: 73-31-4
PubChem CID: 896
InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
Wikidata: Q180912
Molecular formula: C13H16N2O2
Molar mass: 232.28 g/mol
IUPAC: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
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)
logP (XLogP3): 0.8
PSA: 54.1 A^2
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
3D structure: 33 atoms, 34 bonds

## About the compound

Melatonin (CAS 73-31-4) is a chemical compound registered under CAS number 73-31-4. Molecular formula: C13H16N2O2. Molar mass: 232.28 g/mol. The full systematic IUPAC name is: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide. The molecule contains 33 atoms connected by 34 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/73-31-4/


## Synonyms

  - Melatonin
  - 73-31-4
  - Melatonine
  - N-Acetyl-5-methoxytryptamine
  - N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide
  - Circadin
  - 5-Methoxy-N-acetyltryptamine
  - Melatol
  - N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide
  - Melovine
  - Melapure
  - Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-

## Available in the shop

Shop: MolGod
Product: melatonin (CAS 73-31-4) — Safety Data Sheet
URL: https://molgod.org/sds-cards/melatonin-cas-73-31-4-safety-data-sheet/

## Data sources

  - PubChem CID 896: https://pubchem.ncbi.nlm.nih.gov/compound/896
  - Wikidata: https://www.wikidata.org/wiki/Q180912
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=73-31-4
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=73-31-4

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Last updated: 2026-10-02
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