Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCN)cc1- InChIKey
BFZSHMXBPQGSIX-UHFFFAOYSA-N- Molecular formula
- C9H13NO3S
- Average molar mass
- 215.27 g/mol
Names & identifiers
- Preferred name
- 2-Aminoethyl 4-methylbenzene-1-sulfonate
- IUPAC
- 2-aminoethyl 4-methylbenzenesulfonate
Names & synonyms
2-aminoethyl 4-methylbenzene-1-sulfonate78894-78-7Ethanolamine p-toluenesulphonateSCHEMBL3975259BFZSHMXBPQGSIX-UHFFFAOYSA-NEN300-7185916
Database identifiers
- PubChem CID
- 14709727
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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