Basic information
- CAS
118-68-3- Standard SMILES
CC(=O)O.CCC(N)Cc1c[nH]c2ccccc12- InChIKey
TUQLBJAHRWROHB-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- Etryptamine Acetate
- IUPAC
- acetic acid;1-(1H-indol-3-yl)butan-2-amine
Names & synonyms
Etryptamine acetate118-68-33-(2-Aminobutyl)indole acetateDTXSID2048876U-17312E(+-)-alpha-Ethyltryptamine acetateNSC-639633RY07R55EEDTXCID2028802NSC63963RefChem:1085253204-268-1
Show more names
Atryptamin acetatealpha-Ethyltryptamine acetateEtryptamine acetate [USAN]3-(2-Aminobutyl)indole monoacetateIndole-3-(2-aminobutyl) acetateMLS000736713Indole, 3-(2-aminobutyl)-, acetateacetic acid;1-(1H-indol-3-yl)butan-2-amine
Database identifiers
- CAS
118-68-3- PubChem CID
- 8366
- DTXSID
DTXSID2048876- ChEMBL
CHEMBL1412355- UNII
- 3RY07R55EE
- EC Number
- 204-268-1
Properties
Computed structural properties
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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