N-(4-Methoxyphenyl)-2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoacetamide
Basic information
- CAS
50785-64-3- Standard SMILES
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
HMLONXYIYZTUBN-LICLKQGHSA-N- Molecular formula
- C16H14N4O5
- Average molar mass
- 342.31 g/mol
- Monoisotopic mass
- 342.09641956
Names & identifiers
- Preferred name
- N-(4-Methoxyphenyl)-2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoacetamide
- IUPAC
- N-(4-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
- English name
- N-(4-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
- Molecular formula
- C16H14N4O5
- Molecular weight
- 342.31
Names & synonyms
50785-64-3N-(4-METHOXYPHENYL)-2-(2-(4-NITROBENZYLIDENE)HYDRAZINO)-2-OXOACETAMIDERefChem:827767669-509-9N-(4-methoxyphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamideN-(4-methoxyphenyl)-2-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-2-oxoacetamideSTK168357AKOS000441140SR-01000213172SR-01000213172-1
Database identifiers
- CAS
50785-64-3- PubChem CID
- 5334909
- EC Number
- 669-509-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Density
- 1.354 · 1.354±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.732 · 9.732±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 38 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
Suppliers
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Related reactions
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Compound notes
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