4-Methyl-3-(morpholine-4-sulfonyl)aniline
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Basic information
- CAS
114500-32-2- Standard SMILES
Cc1ccc(N)cc1S(=O)(=O)N1CCOCC1- InChIKey
ZDEUKHHQBDSQPP-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3S
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.08816355
Names & identifiers
- Preferred name
- 4-Methyl-3-(morpholine-4-sulfonyl)aniline
- IUPAC
- 4-methyl-3-morpholin-4-ylsulfonylaniline
- English name
- 4-Methyl-3-(4-Morpholinosulfonyl)aniline
- Molecular formula
- C11H16N2O3S
- Molecular weight
- 256.32
Names & synonyms
114500-32-24-methyl-3-(morpholine-4-sulfonyl)anilineRefChem:525213847-500-24-Methyl-3-(morpholine-4-sulfonyl)-phenylamine4-Methyl-3-(4-morpholinosulfonyl)aniline4-methyl-3-(morpholinosulfonyl)aniline4-methyl-3-morpholin-4-ylsulfonylanilineMFCD012460934-methyl-3-(morpholin-4-ylsulfonyl)aniline4-methyl-3-(morpholin-4-ylsulfonyl)phenylamineSCHEMBL1592716
Show more names
1872404-methyl-3-morpholinosulfonylaniline(4-methyl-3-morpholinosulfonyl-phenyl)amineBenzenamine, 4-methyl-3-(4-morpholinylsulfonyl)-
SCHEMBL9319918ALBB-010194SBB012008STK8030954-methyl-3-morpholinosulfonyl-anilineAKOS000115618ST047969DB-195816
Database identifiers
- CAS
114500-32-2- PubChem CID
- 570632
- EC Number
- 847-500-2
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 114 °C · 114 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 464.1 · 464.1±55.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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