Basic information
- CAS
5454-02-4- Standard SMILES
CC1(C)CC(=O)N(c2ccccc2)N1- InChIKey
HXIUYEXGEYYABB-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-phenyl-3-pyrazolidinone
- IUPAC
- 5,5-dimethyl-2-phenylpyrazolidin-3-one
Names & synonyms
5,5-dimethyl-2-phenyl-3-pyrazolidinoneRefChem:527747668-497-25,5-dimethyl-2-phenylpyrazolidin-3-one5454-02-4NSC23240SCHEMBL4541984SCHEMBL4747949DTXSID90281846HXIUYEXGEYYABB-UHFFFAOYSA-NNSC-23240AKOS024337112
Show more names
5,5-dimethyl-2-phenyl-pyrazolidin-3-one
Database identifiers
- CAS
5454-02-4- PubChem CID
- 229508
- DTXSID
DTXSID90281846- EC Number
- 668-497-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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