N-(1-((3,4-Dimethylanilino)carbonyl)-2-(3-nitrophenyl)vinyl)-4-methylbenzamide
Basic information
- CAS
90124-96-2- Standard SMILES
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(C)c(C)c2)cc1- InChIKey
XCUCXXGMZJVQHJ-HAHDFKILSA-N- Molecular formula
- C25H23N3O4
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.16885622
Names & identifiers
- Preferred name
- N-(1-((3,4-Dimethylanilino)carbonyl)-2-(3-nitrophenyl)vinyl)-4-methylbenzamide
- IUPAC
- N-[(Z)-3-(3,4-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
- English name
- SALOR-INT L254096-1EA
- Molecular formula
- C25H23N3O4
- Molecular weight
- 429.47
Names & synonyms
N-(1-((3,4-DIMETHYLANILINO)CARBONYL)-2-(3-NITROPHENYL)VINYL)-4-METHYLBENZAMIDE90124-96-2RefChem:823432651-628-2N-[1-{[(3,4-dimethylphenyl)amino]carbonyl}-2-(3-nitrophenyl)vinyl]-4-methylbenzamideSMSF0005143CB14029N-[(Z)-3-(3,4-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamideBIM-0014806.P001SALOR-INT L254096-1EA
Database identifiers
- CAS
90124-96-2- PubChem CID
- 5338089
- EC Number
- 651-628-2
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Melting point
- 220 °C · 220 °C(Solvent: Ethanol)
- Boiling point
- 720.435 · 720.435±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.082 · 12.082±0.46(predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
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Compound notes
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