Basic information
- CAS
63352-56-7- Standard SMILES
O=C1NCCN(Cc2ccccc2)C1=O- InChIKey
ROSYHDWYHBPYST-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 1-Benzyl-2,3-piperazinedione
- IUPAC
- 1-benzylpiperazine-2,3-dione
- English name
- 1-Benzyl-2,3-piperazinedione
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
1-Benzyl-2,3-piperazinedione63352-56-7DTXSID50367317RefChem:227931DTXCID603183551-benzylpiperazine-2,3-dione1-Benzyl-2,3-dioxopiperazineMFCD010983481-(Phenylmethyl)-2,3-piperazinedioneBenzyldiketopiperazinCambridge id 5657547SCHEMBL6280977
Show more names
1-Benzyl-piperazine-2,3-dione2,3-Piperazinedione, 1-(phenylmethyl)-
ALBB-0345361-benzyltetrahydro-2,3-pyrazinedioneAKOS000645877ST0991741-benzyl-1,4-diazaperhydroine-2,3-dioneH47762AB00092077-01
Database identifiers
- CAS
63352-56-7- PubChem CID
- 2255402
- DTXSID
DTXSID50367317
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 229 · 229-230oC
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-Benzyl-2,3-dioxopiperazine is an intermediate used in the new process for the synthesis of Piperacillin sodium.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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