N-Butyl-p-toluenesulfonamide
Basic information
- CAS
1907-65-9- Standard SMILES
CCCCNS(=O)(=O)c1ccc(C)cc1- InChIKey
RQUXYBHREKXNKT-UHFFFAOYSA-N- Molecular formula
- C11H17NO2S
- Average molar mass
- 227.33 g/mol
- Monoisotopic mass
- 227.09799978
Names & identifiers
- Preferred name
- N-Butyl-p-toluenesulfonamide
- IUPAC
- N-butyl-4-methylbenzenesulfonamide
- English name
- N-Butyltoluene-4-sulfonamide
- Molecular formula
- C11H17NO2S
- Molecular weight
- 227.32
Names & synonyms
1907-65-9N-Butyl-p-toluenesulfonamideN-BUTYL-4-METHYLBENZENESULFONAMIDEN-TosylbutylamineBenzenesulfonamide, N-butyl-4-methyl-p-Toluenesulfonamide, N-butyl-DTXSID7042198NSC 21807CT68A89DUNSC-2180EINECS 217-612-0AI3-50022
Show more names
N-Butyltoluene-4-sulN-Tosylbutane-1-amineN-BUTYL P-TOLUENESULFONAMIDEn-Butyl-4-toluenesulfonamiden-butyltoluene-4-sulphonamideN-n-butyl-4-toluenosulfonamideN-Butyl p-Toluenesulfonylamine
DTXCID5022198N-BUTYL-P-TOLUENESULFONEAMIDERefChem:829423p-Toluenesulfonamide, N-butyl-(8CI)N-Butyltoluene-4-sulfonamideN-butyl-4-methylbenzene-1-sulfonamideN-butyl-4-methyl-benzenesulfonamideN-n-Butyl-4-toluenesulfonamide
Database identifiers
- CAS
1907-65-9- PubChem CID
- 61285
- DTXSID
DTXSID7042198- ChEMBL
CHEMBL3187779- UNII
- 7CT68A89DU
- EC Number
- 217-612-0
- Nikkaji
- J104.689F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Collision Cross Section155.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7042198]
Physicochemical properties
- Melting point
- 41 °C · 41 °C
- Boiling point
- 234 °C · 234 °C / 20mmHg
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 11.86 · 11.86±0.50(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 1907 · 1907-65-9(CAS DataBase Reference)
- FDA UNII
- 7 CT68A89DU · 7CT68A89DU
- NIST Chemistry Reference
- N-n-butyl-p-toluene sulfonamide(1907-65-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenesulfonamide, N-butyl-4-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- hs_code
- 2935.90.9500
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H302-H317-H319
- Precautionary statements
- P210-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, N-butyl-4-methyl-: INACTIVE
Applications
UsesN-Butyltoluene-4-sulfonamide is used as plasticizer, used in polyamides, cellulose, hot melt adhesives and inks.
Related reactions
5 records
Compound notes
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