4',4'''-(Trimethylenedioxy)diacetanilide
Basic information
- CAS
51515-51-6- Standard SMILES
CC(=O)Nc1ccc(OCCCOc2ccc(NC(C)=O)cc2)cc1- InChIKey
GQLHHLBGKVCSBJ-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.15795719
Names & identifiers
- Preferred name
- 4',4'''-(Trimethylenedioxy)diacetanilide
- IUPAC
- N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide
- English name
- N-{4-[3-(4-acetamidophenoxy)propoxy]phenyl}acetamide
- Molecular formula
- C19H22N2O4
- Molecular weight
- 342.38898
Names & synonyms
4',4'''-(TRIMETHYLENEDIOXY)DIACETANILIDERefChem:50585251515-51-6653-240-9SCHEMBL10802880STK007076AKOS003237714N,N'-[propane-1,3-diylbis(oxy-4,1-phenylene)]diacetamideN,N'-[propane-1,3-diylbis(oxybenzene-4,1-diyl)]diacetamideN,N'-((Propane-1,3-diylbis(oxy))bis(4,1-phenylene))diacetamide4',4'-(TRIMETHYLENEDIOXY)DIACETANILIDE4',4'-(TRIMETHYLENEDIOXY)DIACETANILIDE
Show more names
N-{4-[3-(4-acetamidophenoxy)propoxy]phenyl}acetamide
Database identifiers
- CAS
51515-51-6- PubChem CID
- 3987994
- EC Number
- 653-240-9
- Nikkaji
- J516.342K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- 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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