Basic information
- CAS
5819-67-0- Standard SMILES
CCCCCCCCCOc1ccc(N)cc1CS(C)(=O)=O- InChIKey
NLIWDPJRUDMZIT-UHFFFAOYSA-N- Molecular formula
- C17H29NO3S
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.18681479
Names & identifiers
- Preferred name
- m-Toluidine, alpha-(methylsulfonyl)-4-(nonyloxy)-
- IUPAC
- 3-(methylsulfonylmethyl)-4-nonoxyaniline
Names & synonyms
5819-67-0m-Toluidine, alpha-(methylsulfonyl)-4-(nonyloxy)-M & B 6915BRN 2752262alpha-(Methylsulfonyl)-4-(nonyloxy)-m-toluidineDTXSID40206923RefChem:351600DTXCID701294143-((methylsulfonyl)methyl)-4-(nonyloxy)aniline3-(methylsulfonylmethyl)-4-nonoxyanilinestarbld0033293orb1985585
Show more names
AKOS040753168T335293-[(Methanesulfonyl)methyl]-4-(nonyloxy)aniline
Database identifiers
- CAS
5819-67-0- PubChem CID
- 201342
- DTXSID
DTXSID40206923
Properties
Computed structural properties
- XLogP
- 4.3
- 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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