N-(2-(2-(2,3-Dimethoxybenzylidene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
Basic information
- CAS
391893-12-2- Standard SMILES
COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2OC)cc1OC- InChIKey
FLJHGEUIGQITQO-SSDVNMTOSA-N- Molecular formula
- C20H23N3O6
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.15868546
Names & identifiers
- Preferred name
- N-(2-(2-(2,3-Dimethoxybenzylidene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
- IUPAC
- N-[2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
- English name
- N-({N'-[(1E)-(2,3-dimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide
- Molecular formula
- C20H23N3O6
- Molecular weight
- 401.41
Names & synonyms
N-(2-(2-(2,3-DIMETHOXYBENZYLIDENE)HYDRAZINO)-2-OXOETHYL)-3,4-DIMETHOXYBENZAMIDERefChem:824324391893-12-2666-559-3AKOS024435733N-({N'-[(1E)-(2,3-dimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide
Database identifiers
- CAS
391893-12-2- PubChem CID
- 9717567
- EC Number
- 666-559-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Density
- 1.222 · 1.222±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.978 · 11.978±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
Loading…