m-Toluidine, 4-(hexyloxy)-alpha-(methylsulfonyl)-
Basic information
- CAS
5839-68-9- Standard SMILES
CCCCCCOc1ccc(N)cc1CS(C)(=O)=O- InChIKey
PTEJJLWZZKHJPX-UHFFFAOYSA-N- Molecular formula
- C14H23NO3S
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.1398646
Names & identifiers
- Preferred name
- m-Toluidine, 4-(hexyloxy)-alpha-(methylsulfonyl)-
- IUPAC
- 4-hexoxy-3-(methylsulfonylmethyl)aniline
Names & synonyms
m-Toluidine, 4-(hexyloxy)-alpha-(methylsulfonyl)-5839-68-9M & B 6385BRN 27428694-(Hexyloxy)-alpha-(methylsulfonyl)-m-toluidineDTXSID50207103RefChem:351588DTXCID101295944-hexoxy-3-(methylsulfonylmethyl)aniline4-(Hexyloxy)-3-((methylsulfonyl)methyl)anilinestarbld0026372orb1985593
Show more names
AKOS040753160T335214-(Hexyloxy)-3-[(methanesulfonyl)methyl]aniline
Database identifiers
- CAS
5839-68-9- PubChem CID
- 201365
- DTXSID
DTXSID50207103
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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