Indol-5-OL, 3-(2-(dimethylamino)ethyl)-, oxalate
Basic information
- CAS
2963-79-3- Standard SMILES
C[NH+](C)CCC1=C[NH2+]c2ccc(O)cc21.O=C([O-])C(=O)[O-]- InChIKey
DYESHNNFAFXIKV-UHFFFAOYSA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12157168
Overview
See also: Bufotenine monooxalate (preferred).
Names & identifiers
- Preferred name
- Indol-5-OL, 3-(2-(dimethylamino)ethyl)-, oxalate
- IUPAC
- 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethylazanium;oxalate
Names & synonyms
Bufotenine oxalateBufotenin bioxalateBufotenine-2' oxalate saltNSC 950933-(2-(Dimethylamino)ethyl)indol-5-ol oxalateUNII-4494BFP9LUINDOL-5-OL, 3-(2-(DIMETHYLAMINO)ETHYL)-, OXALATE1H-Indol-5-ol, 3-(2-(dimethylamino)ethyl)-, ethanedioate (1:1) (salt)
Database identifiers
- CAS
2963-79-3- PubChem CID
- 18078
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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