Basic information
- CAS
93552-74-0- Standard SMILES
CC(=O)C(=CN(C)C)C(=O)OC(C)(C)C- InChIKey
KJFFPNCTSYAOCU-UHFFFAOYSA-N- Molecular formula
- C11H19NO3
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.13649347
Names & identifiers
- Preferred name
- Tert-butyl 2-acetyl-3-(dimethylamino)acrylate
- IUPAC
- tert-butyl 2-(dimethylaminomethylidene)-3-oxobutanoate
- English name
- tert-Butyl 2-acetyl-3-(dimethylamino)acrylate
- Molecular formula
- C11H19NO3
- Molecular weight
- 213.27
Names & synonyms
tert-butyl 2-acetyl-3-(dimethylamino)acrylatetert-butyl 2-(dimethylaminomethylidene)-3-oxobutanoate93552-74-0SCHEMBL5902455tert-butyl 2-[(dimethylamino)methylidene]-3-oxobutanoateDTXSID10395439KJFFPNCTSYAOCU-UHFFFAOYSA-NJFA65371tert-butyl 2-((dimethylamino)methylene)-3-oxobutanoateButanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, 1,1-dimethylethyl ester
Database identifiers
- CAS
93552-74-0- PubChem CID
- 3717015
- DTXSID
DTXSID10395439
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 271.8 · 271.8±30.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.70(Predicted)
Chemistry & industry
Suppliers3 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Related reactions
3 records
Compound notes
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