p-Acetamidoacetoacetanilide
Basic information
- CAS
4433-78-7- Standard SMILES
CC(=O)CC(=O)Nc1ccc(NC(C)=O)cc1- InChIKey
PNVSDRLLBNUJBE-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- p-Acetamidoacetoacetanilide
- IUPAC
- N-(4-acetamidophenyl)-3-oxobutanamide
- English name
- N-[4-(acetylamino)phenyl]-3-oxobutyramide
- Molecular formula
- C12H14N2O3
- Molecular weight
- 234.25
Names & synonyms
4433-78-7N-[4-(acetylamino)phenyl]-3-oxobutanamideButanamide, N-[4-(acetylamino)phenyl]-3-oxo-p-Acetamidoacetoacetanilide4-(Acetoacetylamino)acetanilideAcetoacetanilide, 4'-acetamido-4'-Acetamidoacetoacetanilide4'-Acetamido-3-oxobutanilide6VB5GYV1RIEINECS 224-637-0UNII-6VB5GYV1RIButanamide, N-(4-(acetylamino)phenyl)-3-oxo-
Show more names
MFCD000354-AcetoacetamidoacetanilideN-(4-acetamidophenyl)-3-oxobutanamideN-(4-Acetylaminophenyl)acetoacetamideN-(4-acetamidophenyl)-3-keto-butyramide
NSC 109485NSC-109485DTXSID4063456N-(4-ACETAMIDOPHENYL)ACETOACETAMIDEN-(4-(ACETYLAMINO)PHENYL)-3-OXOBUTANAMIDEN-(4-(ACETYLAMINO)PHENYL)-3-OXO-BUTANAMIDEN-ACETOACETYL-N'-ACETYL-1,4-PHENYLENEDIAMINERefChem:169274
Database identifiers
- CAS
4433-78-7- PubChem CID
- 78169
- DTXSID
DTXSID4063456- UNII
- 6VB5GYV1RI
- EC Number
- 224-637-0
- Nikkaji
- J37.698A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 534.4 · 534.4±35.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.46(Predicted)
- FDA UNII
- 6 VB5GYV1RI · 6VB5GYV1RI
- EPA Substance Registry System
- 4 · Butanamide, N-[4-(acetylamino)phenyl]-3-oxo- (4433-78-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N-[4-(acetylamino)phenyl]-3-oxo-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…