Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate
Basic information
- CAS
18518-64-4- Standard SMILES
CC(=O)[O-].[NH3+]CCc1c[nH]c2ccc(OC(=O)c3ccccc3)cc12- InChIKey
IIYMAGWQTKMPCY-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- Indol-5-ol, 3-(2-aminoethyl)-, benzoate (ester), monoacetate
- IUPAC
- 2-(5-benzoyloxy-1H-indol-3-yl)ethylazanium acetate
Names & synonyms
3-(2-Aminoethyl)indol-5-ol benzoate monoacetate18518-64-4INDOL-5-OL, 3-(2-AMINOETHYL)-, BENZOATE (ester), MONOACETATEDTXSID20171726RefChem:349121DTXCID20942172-[5-(Benzoyloxy)-1H-indol-3-yl]ethan-1-aminium acetate
Database identifiers
- CAS
18518-64-4- PubChem CID
- 29114
- DTXSID
DTXSID20171726
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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