N-Mesityl-3-oxobutanamide
Basic information
- CAS
19359-16-1- Standard SMILES
CC(=O)CC(=O)Nc1c(C)cc(C)cc1C- InChIKey
GVBDGMRNGLFNRS-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- N-Mesityl-3-oxobutanamide
- IUPAC
- 3-oxo-N-(2,4,6-trimethylphenyl)butanamide
- English name
- CHEMBRDG-BB 5303985
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
N-MESITYL-3-OXOBUTANAMIDE19359-16-13-oxo-n-(2,4,6-trimethylphenyl)butanamideMFCD00453329CBMicro_016629SCHEMBL11578854CCG-5535STL081009AKOS005712088BS-37383BIM-0016540.P001DB-210044
Show more names
CHEMBRDG-BB 5303985N-mesityl-3-oxobutanamide(SALTDATA: FREE)3-OXO-N-(2,4,6-TRIMETHYL-PHENYL)-BUTYRAMIDEButanamide, 3-oxo-N-(2,4,6-trimethylphenyl)-
ST50449057F314023SR-01000203641SR-01000203641-1
Database identifiers
- CAS
19359-16-1- PubChem CID
- 793589
- EC Number
- 157-543-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 358.4 · 358.4±30.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.46(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
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Compound notes
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