Basic information
- CAS
5819-69-2- Standard SMILES
CCCCCCCCOc1ccc(N)cc1CS(=O)(=O)CC- InChIKey
ADTLTEWHWRIKCF-UHFFFAOYSA-N- Molecular formula
- C17H29NO3S
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.18681479
Names & identifiers
- Preferred name
- m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-
- IUPAC
- 3-(ethylsulfonylmethyl)-4-octoxyaniline
Names & synonyms
m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-M & B 6134BRN 2752211alpha-(Ethylsulfonyl)-4-(octyloxy)-m-toluidine5819-69-2DTXSID60206925RefChem:351598DTXCID901294163-[(Ethanesulfonyl)methyl]-4-(octyloxy)aniline
Database identifiers
- CAS
5819-69-2- PubChem CID
- 201344
- DTXSID
DTXSID60206925
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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