Basic information
- CAS
35975-17-8- Standard SMILES
O=C1CN(Cc2ccccc2)CC(=O)N1- InChIKey
VURIYIYAKMLWMZ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 4-Benzylpiperazine-2,6-dione
- IUPAC
- 4-benzylpiperazine-2,6-dione
- English name
- 1-Benzyl-3,5-piperazinedione
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
4-benzylpiperazine-2,6-dione35975-17-84-Benzyl-piperazine-2,6-dione1-benzyl-3,5-piperazinedione2,6-Piperazinedione, 4-(phenylmethyl)-4-Benzyl-2,6-piperazinedioneA1BF1CBDivE_005039MLS0012108424-Benzyl-2,6-dioxo-piperazinSCHEMBL1671165SCHEMBL3451882
Show more names
CHEMBL2130630DTXSID00340034HMS1607H01MFCD00552887STK013970AKOS000538656AT39057SMR000513470
Database identifiers
- CAS
35975-17-8- PubChem CID
- 560967
- DTXSID
DTXSID00340034- ChEMBL
CHEMBL2130630- EC Number
- 880-026-4
- Nikkaji
- J108.979J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 106 °C · 106 °C
- Boiling point
- 384.9 · 384.9±35.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 10.61 · 10.61±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
7 records
Compound notes
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