Basic information
- CAS
14776-41-1- Standard SMILES
CC1CNN(c2ccccc2)C1=O- InChIKey
LBZPFGXJKJZTRS-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- 4-Methyl-2-phenylpyrazolidin-3-one
- IUPAC
- 4-methyl-2-phenylpyrazolidin-3-one
Names & synonyms
4-methyl-2-phenylpyrazolidin-3-one14776-41-1DTXSID00395928RefChem:294252DTXCID90346787Oprea1_778328SCHEMBL110482641-phenyl-4-methyl-5-pyrazolidoneSTK379053AKOS0054489874-METHYL-2-PHENYL-3-PYRAZOLIDINONEST50863271
Show more names
pyrazole, tetrahydro-4-methyl-3-oxo-2-phenyl-
Database identifiers
- CAS
14776-41-1- PubChem CID
- 3752124
- DTXSID
DTXSID00395928- EC Number
- 126-072-4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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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