Basic information
- CAS
88041-30-9- Standard SMILES
CCc1cc(CN)c(O)c(S(C)(=O)=O)c1.Cl- InChIKey
SKMPRGNXWOHHSN-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO3S
- Average molar mass
- 265.76 g/mol
- Monoisotopic mass
- 265.0539422
Names & identifiers
- Preferred name
- 2-Aminomethyl-4-ethyl-6-methylsulfonylphenol hydrochloride
- IUPAC
- 2-(aminomethyl)-4-ethyl-6-methylsulfonylphenol;hydrochloride
Names & synonyms
88041-30-9SCHEMBL107079302-aminomethyl-4-ethyl-6-methylsulfonylphenol hydrochlorideDTXSID50603560SKMPRGNXWOHHSN-UHFFFAOYSA-N2-(Aminomethyl)-4-ethyl-6-(methanesulfonyl)phenol--hydrogen chloride (1/1)
Database identifiers
- CAS
88041-30-9- PubChem CID
- 20206380
- DTXSID
DTXSID50603560
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Related reactions
1 records
Compound notes
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