2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline
Basic information
- CAS
1220021-52-2- Standard SMILES
CCS(=O)(=O)c1ccc(N2CCCCC2)cc1N- InChIKey
SCJBWJLQBZUEST-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2S
- Average molar mass
- 268.38 g/mol
Names & identifiers
- Preferred name
- 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline
- IUPAC
- 2-ethylsulfonyl-5-piperidin-1-ylaniline
- English name
- 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline
- Molecular formula
- C13H20N2O2S
- Molecular weight
- 268.38
Names & synonyms
2-(ETHYLSULFONYL)-5-(1-PIPERIDINYL)ANILINE1220021-52-22-(Ethylsulfonyl)-5-(piperidin-1-yl)aniline2-ethylsulfonyl-5-piperidin-1-ylanilineAKOS015838953Benzenamine, 2-(ethylsulfonyl)-5-(1-piperidinyl)-
Database identifiers
- CAS
1220021-52-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 509.2 · 509.2±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 2.23 · 2.23±0.40(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline belongs to heterocyclic derivatives and can be used as pharmaceutical intermediates.
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Related reactions
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Compound notes
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