Basic information
- CAS
13425-34-8- Standard SMILES
O=C([O-])CCCCC(=O)O.[NH3+]CCc1c[nH]c2ccc(O)cc12- InChIKey
QUDKLAIWRJDCMU-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.15287181
Overview
See also: Serotonin adipate (preferred).
Names & identifiers
- Preferred name
- Indol-5-OL, 3-(2-aminoethyl)-, adipate
- IUPAC
- 2-(5-hydroxy-1H-indol-3-yl)ethylazanium;6-hydroxy-6-oxohexanoate
Names & synonyms
2-(5-hydroxy-1H-indol-3-yl)ethylazanium;6-hydroxy-6-oxohexanoateUNII-AAJ8D63BQYINDOL-5-OL, 3-(2-AMINOETHYL)-, ADIPATEAKOS024360154ST509899533-(2-aminoethyl)indol-5-ol, hexanedioic acid2-(5-Hydroxy-1H-indol-3-yl)ethanaminium 3-carboxypropanoate
Database identifiers
- CAS
13425-34-8、16031-83-7- PubChem CID
- 27644
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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