2-(2-Benzylidenehydrazino)-N-(4-methylphenyl)-2-oxoacetamide
Basic information
- CAS
50785-59-6- Standard SMILES
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1- InChIKey
YGUBIELLRXOKIH-GZTJUZNOSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 2-(2-Benzylidenehydrazino)-N-(4-methylphenyl)-2-oxoacetamide
- IUPAC
- N'-[(E)-benzylideneamino]-N-(4-methylphenyl)oxamide
- English name
- SALOR-INT L457078-1EA
- Molecular formula
- C16H15N3O2
- Molecular weight
- 281.31
Names & synonyms
2-(2-BENZYLIDENEHYDRAZINO)-N-(4-METHYLPHENYL)-2-OXOACETAMIDERefChem:453355656-183-8AKOS003816437SALOR-INT L457078-1EA
Database identifiers
- CAS
50785-59-6- PubChem CID
- 9638697
- EC Number
- 656-183-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Density
- 1.167 · 1.167±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.221 · 10.221±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
Suppliers
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Related reactions
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Compound notes
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