Basic information
- CAS
60657-23-0- Standard SMILES
C[N+](C)(C)CCc1c[nH]c2ccc(O)cc12- InChIKey
HIYGARYIJIZXGW-UHFFFAOYSA-O- Molecular formula
- C13H19N2O+
- Average molar mass
- 219.3 g/mol
- Monoisotopic mass
- 219.14973823
Overview
N,N,N-Trimethylserotonin is a citraconoyl group.
Names & identifiers
- Preferred name
- Bufotenium
- IUPAC
- 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium
- English name
- cinobufotenine
- Molecular formula
- C13H19N2O
- Molecular weight
- 219.3
Names & synonyms
Cinobufotenine60657-23-0BufoteniumDTXSID90209469RefChem:917700DTXCID60131960Bufoteninium5-HTQCHEMBL3179712-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazaniumAC1LCVFTA1EG9
Show more names
noninterference5-Hydroxy-N,N,N-trimethyltryptamine2-(5-Hydroxy-1H-indole-3-yl)ethyltrimethylaminium5-Hydroxy-N,N,N-trimethyl-1H-indole-3-(ethanaminium)N,N,N-Trimethyl-2-(5-hydroxy-1H-indole-3-yl)ethanaminium
5-Hydroxy-N,N,N-trimethyl-1H-indole-3-ethanaminium1H-Indole-3-ethanaminium, 5-hydroxy-N,N,N-trimethyl-SCHEMBL23424443CHEBI:31879BDBM50130280PDSP1_001578PDSP2_001562AKOS040760333
Database identifiers
- CAS
60657-23-0- PubChem CID
- 656705
- DTXSID
DTXSID90209469- ChEMBL
CHEMBL317971- ChEBI
CHEBI:31879- Nikkaji
- J39.890J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 237
Physicochemical properties
- pka
- 9.801 · 9.801±0.40(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Additional notes
DefinitionChEBI: N,N,N-Trimethylserotonin is a citraconoyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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