Basic information
- CAS
5896-89-9- Standard SMILES
CCCCCCCCOc1ccc(N)cc1C.CS(=O)(=O)O- InChIKey
WDCLWLNEBPGTEV-UHFFFAOYSA-N- Molecular formula
- C16H29NO4S
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.18172941
Names & identifiers
- Preferred name
- Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine
- IUPAC
- methanesulfonic acid;3-methyl-4-octoxyaniline
Names & synonyms
5896-89-94-(Octyloxy)-m-toluidine methanesulfonateM & B 5856m-Toluidine, 4-(octyloxy)-, methanesulfonateDTXSID00207698RefChem:352361DTXCID501301893-Methyl-4-(octyloxy)aniline methanesulfonatemethanesulfonic acid;3-methyl-4-octoxyanilinestarbld0010078orb1985643AKOS040753014
Show more names
T33312Methanesulfonic acid--3-methyl-4-(octyloxy)aniline (1/1)
Database identifiers
- CAS
5896-89-9- PubChem CID
- 201389
- DTXSID
DTXSID00207698
Properties
Computed structural properties
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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