Basic information
- CAS
68912-00-5- Standard SMILES
CC(=O)CC(=O)N(C(=O)CC(C)=O)c1ccccc1C- InChIKey
OPJGBIZKNKLMSX-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-
- IUPAC
- N-(2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
- English name
- N-(1,3-dioxobutyl)-3-oxo-N-(o-tolyl)butyramide
- Molecular formula
- C15H17NO4
- Molecular weight
- 275.3
Names & synonyms
Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-EINECS 272-797-5DTXSID0071833NSC 240858RefChem:570685DTXCID304632068912-00-5Diacetoacetato-o-toluidideN-(1,3-Dioxobutyl)-3-oxo-N-(o-tolyl)butyramideN-(2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide9QJX325Y9WNSC-240858
Show more names
N-(1,3-Dioxobutyl)-N-(2-methylphenyl)-3-oxobutanamide
3-Oxo-N-(3-oxobutanoyl)-N-(o-tolyl)butanamideN-(O-Tolyl)-DiacetoacetamideNSC240858UNII-9QJX325Y9WSCHEMBL28434079OPJGBIZKNKLMSX-UHFFFAOYSA-NN-acetoacetyl-N-2-tolylacetoacetamideAKOS024333955
Database identifiers
- CAS
68912-00-5- PubChem CID
- 99552
- DTXSID
DTXSID0071833- UNII
- 9QJX325Y9W
- EC Number
- 272-797-5
- Nikkaji
- J310.532F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- FDA UNII
- 9 QJX325Y9W · 9QJX325Y9W
- EPA Substance Registry System
- Butanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo- (68912-00-5)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N-(1,3-dioxobutyl)-N-(2-methylphenyl)-3-oxo-: INACTIVE
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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