4-(Propylsulfonyl)aniline
Basic information
- CAS
86810-78-8- Standard SMILES
CCCS(=O)(=O)c1ccc(N)cc1- InChIKey
UPYAKDAOBGDGJU-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.06669983
Names & identifiers
- Preferred name
- 4-(Propylsulfonyl)aniline
- IUPAC
- 4-propylsulfonylaniline
- English name
- 4-(propylsulfonyl)aniline
- Molecular formula
- C9H13NO2S
- Molecular weight
- 199.27
Names & synonyms
4-(Propylsulfonyl)aniline86810-78-8Benzenamine, 4-propylsulfonyl-DTXSID00340433RefChem:289390DTXCID20291514UPYAKDAOBGDGJU-UHFFFAOYSA-N4-(Propane-1-sulfonyl)aniline4-propylsulfonylanilineMFCD09936494Benzenamine, 4-(propylsulfonyl)-4-(Propylsulfonyl)aniline #
Show more names
SCHEMBL2148722SCHEMBL10619867AKOS000176539BS-24068CS-0204224
Database identifiers
- CAS
86810-78-8- PubChem CID
- 564671
- DTXSID
DTXSID00340433- Nikkaji
- J42.330K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2930909899 · 2930909899
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
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
1 records
Compound notes
Loading…