N-(2-Oxo-2-(2-(2,3,4-trimethoxybenzylidene)hydrazino)ethyl)-4-propoxybenzamide
Basic information
- CAS
769150-47-2- Standard SMILES
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1- InChIKey
SHLRMZJTJOFQLH-ZMOGYAJESA-N- Molecular formula
- C22H27N3O6
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.18998559
Names & identifiers
- Preferred name
- N-(2-Oxo-2-(2-(2,3,4-trimethoxybenzylidene)hydrazino)ethyl)-4-propoxybenzamide
- IUPAC
- N-[2-oxo-2-[(2E)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
- English name
- SALOR-INT L394637-1EA
- Molecular formula
- C22H27N3O6
- Molecular weight
- 429.47
Names & synonyms
N-(2-OXO-2-(2-(2,3,4-TRIMETHOXYBENZYLIDENE)HYDRAZINO)ETHYL)-4-PROPOXYBENZAMIDERefChem:825670769150-47-2643-788-7AKOS024415424SALOR-INT L394637-1EA
Database identifiers
- CAS
769150-47-2- PubChem CID
- 9633263
- EC Number
- 643-788-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Density
- 1.191 · 1.191±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.799 · 11.799±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
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Related reactions
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Compound notes
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