N-(1-((Diethylamino)carbonyl)-2-(3-nitrophenyl)vinyl)-4-methylbenzamide
Basic information
- CAS
300567-63-9- Standard SMILES
CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1- InChIKey
SYIFYVBPCKMTLG-RGEXLXHISA-N- Molecular formula
- C21H23N3O4
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.16885622
Names & identifiers
- Preferred name
- N-(1-((Diethylamino)carbonyl)-2-(3-nitrophenyl)vinyl)-4-methylbenzamide
- IUPAC
- N-[(Z)-3-(diethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
- English name
- SALOR-INT L254401-1EA
- Molecular formula
- C21H23N3O4
- Molecular weight
- 381.43
Names & synonyms
300567-63-9N-[1-[(diethylamino)carbonyl]-2-(3-nitrophenyl)vinyl]-4-methylbenzamideN-(1-((Diethylamino)carbonyl)-2-(3-nitrophenyl)vinyl)-4-methylbenzamideN-(1-[(diethylamino)carbonyl]-2-{3-nitrophenyl}vinyl)-4-methylbenzamideRefChem:823448651-567-1SMSF0005139AKOS024408790CB13795N-[(Z)-3-(diethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamideBIM-0014787.P001AG-219/09032050
Show more names
SALOR-INT L254401-1EA
SR-01000200102SR-01000200102-1N-[(Z)-1-[(diethylamino)carbonyl]-2-(3-nitrophenyl)ethenyl]-4-methylbenzamide
Database identifiers
- CAS
300567-63-9- PubChem CID
- 5338084
- EC Number
- 651-567-1
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 587
Physicochemical properties
- Boiling point
- 648.122 · 648.122±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.971 · 11.971±0.46(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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