Basic information
- CAS
5819-63-6- Standard SMILES
CCCCOc1ccc(N)cc1CS(C)(=O)=O- InChIKey
LHRINDKYTZABEV-UHFFFAOYSA-N- Molecular formula
- C12H19NO3S
- Average molar mass
- 257.35 g/mol
- Monoisotopic mass
- 257.10856447
Names & identifiers
- Preferred name
- m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-
- IUPAC
- 4-butoxy-3-(methylsulfonylmethyl)aniline
Names & synonyms
5819-63-6m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-M & B 6913BRN 27358274-Butoxy-alpha-(methylsulfonyl)-m-toluidineDTXSID50206919RefChem:351592DTXCID301294104-butoxy-3-(methylsulfonylmethyl)aniline4-Butoxy-3-((methylsulfonyl)methyl)anilinestarbld0045809orb1985589
Show more names
AKOS0407531644-Butoxy-3-[(methanesulfonyl)methyl]anilineT33525
Database identifiers
- CAS
5819-63-6- PubChem CID
- 201338
- DTXSID
DTXSID50206919
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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