4-Toluidine tosylate
Basic information
- CAS
14034-62-9- Standard SMILES
Cc1ccc(N)cc1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
BGKMHCKUGVZEHO-UHFFFAOYSA-N- Molecular formula
- C14H17NO3S
- Average molar mass
- 279.36 g/mol
- Monoisotopic mass
- 279.09291458
Names & identifiers
- Preferred name
- 4-Toluidine tosylate
- IUPAC
- 4-methylaniline;4-methylbenzenesulfonic acid
Names & synonyms
14034-62-94-toluidine tosylateRefChem:912822p-toluidine p-toluenesulfonateNSC263478SCHEMBL11782818DTXSID20312814NSC-263478DS-0054534-Methylbenzene-1-sulfonic acid--4-methylaniline (1/1)
Database identifiers
- CAS
14034-62-9- PubChem CID
- 319367
- DTXSID
DTXSID20312814
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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