1-(1H-indol-3-yl)butan-2-ylazanium acetate
Basic information
- CAS
118-68-3- Standard SMILES
CC(=O)[O-].CCC([NH3+])Cc1c[nH]c2ccccc12- InChIKey
TUQLBJAHRWROHB-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Overview
See also: Etryptamine Acetate (preferred).
Names & identifiers
- Preferred name
- 1-(1H-indol-3-yl)butan-2-ylazanium acetate
- IUPAC
- 1-(1H-indol-3-yl)butan-2-ylazanium acetate
Database identifiers
- CAS
118-68-3- PubChem CID
- 26411
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 207
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Related reactions
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Compound notes
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