Ethanesulfonic acid; [3-(2-phenoxyethoxy)phenyl]methanamine
Basic information
- CAS
24797-96-4- Standard SMILES
CCS(=O)(=O)O.NCc1cccc(OCCOc2ccccc2)c1- InChIKey
WQUQKEXEMHVHRB-UHFFFAOYSA-N- Molecular formula
- C17H23NO5S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12969401
Names & identifiers
- Preferred name
- Ethanesulfonic acid; [3-(2-phenoxyethoxy)phenyl]methanamine
- IUPAC
- ethanesulfonic acid;[3-(2-phenoxyethoxy)phenyl]methanamine
Names & synonyms
24797-96-4NSC211649ethanesulfonic acid; [3-(2-phenoxyethoxy)phenyl]methanamineDTXSID80309301NSC-211649Ethanesulfonic acid--1-[3-(2-phenoxyethoxy)phenyl]methanamine (1/1)
Database identifiers
- CAS
24797-96-4- PubChem CID
- 309384
- DTXSID
DTXSID80309301
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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