3'-Acetoacetamidoacetoacetanilide
Basic information
- CAS
13733-33-0- Standard SMILES
CC(=O)CC(=O)Nc1cccc(NC(=O)CC(C)=O)c1- InChIKey
MSAABPAPRGCKNY-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- 3'-Acetoacetamidoacetoacetanilide
- IUPAC
- 3-oxo-N-[3-(3-oxobutanoylamino)phenyl]butanamide
- English name
- N,N'-1,3-phenylenebis[3-oxobutyramide]
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
13733-33-03'-AcetoacetamidoacetoacetanilideButanamide, N,N'-1,3-phenylenebis[3-oxo-AEP1SK0GLRAcetoacetamide, N,N'-m-phenylenebis-N,N'-meta-Phenylenebis(acetoacetamide)Butanamide, N,N'-1,3-phenylenebis(3-oxo-UNII-AEP1SK0GLREINECS 237-302-9NSC 156993NSC-156993DTXSID4065602
Show more names
1,3-Bis(acetoacetylamino)benzeneDiacetoacet-1,3-phenylenediamideN,N'-m-phenylene-bis-acetoacetamideN,N'-1,3-phenylenebis[3-oxobutyramide]N,N'-(1,3-Phenylene)bis(3-oxobutanamide)
N,N'-1,3-PHENYLENEBIS(3-OXOBUTANAMIDE)N,N'-1,3-Phenylenebis[3-oxobutanamide]RefChem:90290DTXCID2034419Acetoacetamide, N,N'-m-phenylenebis-(8CI)237-302-93-oxo-N-[3-(3-oxobutanoylamino)phenyl]butanamideN,N/'-1,3-phenylenebis[3-oxobutyramide]
Database identifiers
- CAS
13733-33-0- PubChem CID
- 98645
- DTXSID
DTXSID4065602- UNII
- AEP1SK0GLR
- EC Number
- 237-302-9
- Nikkaji
- J141.306F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- Boiling point
- 575.3 · 575.3±45.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 10.84 · 10.84±0.46(Predicted)
- FDA UNII
- 1 SK0GLR · AEP1SK0GLR
- EPA Substance Registry System
- -1 · Butanamide, N,N'-1,3-phenylenebis[3-oxo- (13733-33-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butanamide, N,N'-1,3-phenylenebis[3-oxo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N,N'-1,3-phenylenebis[3-oxo-: INACTIVE
Suppliers
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Related reactions
1 records
Compound notes
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