1-Benzoyl-4-phenylpiperazine
Basic information
- CAS
18907-52-3- Standard SMILES
O=C(c1ccccc1)N1CCN(c2ccccc2)CC1- InChIKey
PIGJYCFPOKYNLL-UHFFFAOYSA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Names & identifiers
- Preferred name
- 1-Benzoyl-4-phenylpiperazine
- IUPAC
- phenyl-(4-phenylpiperazin-1-yl)methanone
- English name
- Phenyl(4-phenylpiperazin-1-yl)methanone
- Molecular formula
- C17H18N2O
- Molecular weight
- 266.34
Names & synonyms
1-benzoyl-4-phenylpiperazineRefChem:1054941phenyl(4-phenylpiperazin-1-yl)methanone18907-52-3phenyl-(4-phenylpiperazin-1-yl)methanoneMLS002694728methanone, phenyl(4-phenyl-1-piperazinyl)-piperazine, a1NSC87018TimTec1_002842NCIOpen2_005373Oprea1_206925
Show more names
Phenyl(4-phenyl-1-piperazinyl)methanone
Oprea1_741743CHEMBL240734SCHEMBL5546278SCHEMBL7124360SCHEMBL8595777SCHEMBL15546947SCHEMBL28044673BDBM25772
Database identifiers
- CAS
18907-52-3- PubChem CID
- 258240
- DTXSID
DTXSID20940419- ChEMBL
CHEMBL240734- EC Number
- 121-837-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 443.5 · 443.5±38.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.10(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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