Diethyl 2-acetamido-2-(3-phthalimidopropyl)malonate
Basic information
- CAS
83544-57-4- Standard SMILES
CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC- InChIKey
GJDFIDBSNRVSFL-UHFFFAOYSA-N- Molecular formula
- C20H24N2O7
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.15835111
Names & identifiers
- Preferred name
- Diethyl 2-acetamido-2-(3-phthalimidopropyl)malonate
- IUPAC
- diethyl 2-acetamido-2-[3-(1,3-dioxoisoindol-2-yl)propyl]propanedioate
Names & synonyms
83544-57-4RefChem:587110diethyl 2-acetamido-2-(3-phthalimidopropyl)malonate667-756-7Diethyl 2-acetamido-2-(3-(1,3-dioxoisoindolin-2-yl)propyl)malonateAKOS024432715diethyl 2-(acetylamino)-2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]malonate
Database identifiers
- CAS
83544-57-4- PubChem CID
- 4623809
- EC Number
- 667-756-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 634
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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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