4-{[4,4-dicyano-3-(dimethylamino)-1,3-butadienyl]amino}-N,N-dimethylbenzenesulfonamide
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Basic information
- CAS
338773-75-4- Standard SMILES
CN(C)C(C=CNc1ccc(S(=O)(=O)N(C)C)cc1)=C(C#N)C#N- InChIKey
YGGFZJDGDYTHKP-UHFFFAOYSA-N- Molecular formula
- C16H19N5O2S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.12594604
Names & identifiers
- Preferred name
- 4-{[4,4-dicyano-3-(dimethylamino)-1,3-butadienyl]amino}-N,N-dimethylbenzenesulfonamide
- IUPAC
- 4-[[4,4-dicyano-3-(dimethylamino)buta-1,3-dienyl]amino]-N,N-dimethylbenzenesulfonamide
- English name
- 4-([4,4-DICYANO-3-(DIMETHYLAMINO)-1,3-BUTADIENYL]AMINO)-N,N-DIMETHYLBENZENESULFONAMIDE
- Molecular formula
- C16H19N5O2S
- Molecular weight
- 345.42
Names & synonyms
AKOS0302445614-{[4,4-dicyano-3-(dimethylamino)-1,3-butadienyl]amino}-N,N-dimethylbenzenesulfonamide4-([4,4-DICYANO-3-(DIMETHYLAMINO)-1,3-BUTADIENYL]AMINO)-N,N-DIMETHYLBENZENESULFONAMIDEBenzenesulfonamide, 4-[[4,4-dicyano-3-(dimethylamino)-1,3-butadien-1-yl]amino]-N,N-dimethyl-(E)-4-((4,4-dicyano-3-(dimethylamino)buta-1,3-dien-1-yl)amino)-N,N-dimethylbenzenesulfonamide
Database identifiers
- CAS
338773-75-4- PubChem CID
- 1470980
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Boiling point
- 611.196 · 611.196±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.288 · -1.288±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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