Basic information
- CAS
61524-13-8- Standard SMILES
Nc1ccc(CS(=O)(=O)Cc2ccc(N)cc2)cc1- InChIKey
BNFMAYAXRNXTJK-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2S
- Average molar mass
- 276.36 g/mol
- Monoisotopic mass
- 276.09324893
Names & identifiers
- Preferred name
- 4-[(4-Aminophenyl)methylsulfonylmethyl]aniline
- IUPAC
- 4-[(4-aminophenyl)methylsulfonylmethyl]aniline
- English name
- 4-[(4-aminophenyl)methylsulfonylmethyl]aniline
- Molecular formula
- C14H16N2O2S
- Molecular weight
- 276.36
Names & synonyms
61524-13-84-[(4-aminophenyl)methylsulfonylmethyl]anilineNSC27263SCHEMBL1449580DTXSID90282676NSC-27263AKOS0032729824,4'-[Sulfonylbis(methylene)]dianilineDB-2949844-[(4-Aminophenyl)methylsulfonylmethyl ]anilinebis-(4-amino-benzyl)-sulfoneBenzenamine, 4,4'-[sulfonylbis(methylene)]bis- (9CI)
Database identifiers
- CAS
61524-13-8- PubChem CID
- 231306
- DTXSID
DTXSID90282676
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 588.115 · 588.115±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.417 · 4.417±0.10(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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