4,5-Dimethylpyrrolidin-2-one
Basic information
- CAS
86240-37-1- Standard SMILES
CC1CC(=O)NC1C- InChIKey
URLVRPKEOGBFHJ-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 4,5-Dimethylpyrrolidin-2-one
- IUPAC
- 4,5-dimethylpyrrolidin-2-one
Names & synonyms
4,5-dimethylpyrrolidin-2-one86240-37-1RefChem:507853866-849-1MFCD19217763SCHEMBL69353632-Pyrrolidinone, 4,5-dimethyl-AKOS006355860SY195473CS-0265331EN300-97845H37970
Show more names
Z1203733092
Database identifiers
- CAS
86240-37-1- PubChem CID
- 14435951
- EC Number
- 866-849-1
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
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%)
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Related reactions
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Compound notes
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