2-Anilinoethyl p-toluenesulphonate
Basic information
- CAS
93893-05-1- Standard SMILES
Cc1ccc(S(=O)(=O)OCCNc2ccccc2)cc1- InChIKey
MUAUNBYVGHLRNE-UHFFFAOYSA-N- Molecular formula
- C15H17NO3S
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.09291458
Names & identifiers
- Preferred name
- 2-Anilinoethyl p-toluenesulphonate
- IUPAC
- 2-anilinoethyl 4-methylbenzenesulfonate
Names & synonyms
2-Anilinoethyl p-toluenesulphonateEINECS 299-592-393893-05-1DTXSID50239848RefChem:85422DTXCID00162339299-592-3SCHEMBL316065842-Anilinoethyl 4-methylbenzene-1-sulfonateNS00064117
Database identifiers
- CAS
93893-05-1- PubChem CID
- 6366279
- DTXSID
DTXSID50239848- EC Number
- 299-592-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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