3,4-Dimethoxy-N-(2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide
Basic information
- CAS
339572-20-2- Standard SMILES
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC- InChIKey
NDEKGFCRLZPUSI-KEBDBYFISA-N- Molecular formula
- C18H18N4O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.12263431
Names & identifiers
- Preferred name
- 3,4-Dimethoxy-N-(2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide
- IUPAC
- 3,4-dimethoxy-N-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
- English name
- 3,4-dimethoxy-N-({N'-[(1E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
- Molecular formula
- C18H18N4O6
- Molecular weight
- 386.36
Names & synonyms
3,4-DIMETHOXY-N-(2-(2-(4-NITROBENZYLIDENE)HYDRAZINO)-2-OXOETHYL)BENZAMIDERefChem:486279339572-20-2666-566-1AKOS0054542043,4-dimethoxy-N-({N'-[(1E)-(4-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
Database identifiers
- CAS
339572-20-2- PubChem CID
- 9595397
- EC Number
- 666-566-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- Density
- 1.33 · 1.330±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.887 · 11.887±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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