1-Benzyl-5-methylpyrrolidine-2,4-dione
Basic information
- CAS
114473-97-1- Standard SMILES
CC1C(=O)CC(=O)N1Cc1ccccc1- InChIKey
VWJMJWRMYMVQIU-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 1-Benzyl-5-methylpyrrolidine-2,4-dione
- IUPAC
- 1-benzyl-5-methylpyrrolidine-2,4-dione
Names & synonyms
1-benzyl-5-methylpyrrolidine-2,4-dione114473-97-1RefChem:429976989-625-6PEA47397AKOS026727830AT44084EN300-112309
Database identifiers
- CAS
114473-97-1- PubChem CID
- 71756597
- EC Number
- 989-625-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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