N,N'-dibenzoylpiperazine
Basic information
- CAS
6091-41-4- Standard SMILES
O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1- InChIKey
AIJTZIFDVSTZPB-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Overview
structure in first source
Names & identifiers
- Preferred name
- N,N'-dibenzoylpiperazine
- IUPAC
- (4-benzoylpiperazin-1-yl)-phenylmethanone
- English name
- 1,4-Dibenzoylpiperazine
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
N,N'-dibenzoylpiperazineRefChem:8313161,4-Dibenzoylpiperazine6091-41-4N1,N4-DibenzoylpiperazinePiperazine, 1,4-dibenzoyl-(4-benzoylpiperazin-1-yl)-phenylmethanonen(sup1),n(sup4)-dibenzoylpiperazinepiperazine-1,4-diylbis(phenylmethanone)(Piperazine-1,4-diyl)bis(phenylmethanone)MLS000526596964Y2A1KU8
Show more names
1,1′-(1,4-Piperazinediyl)bis[1-phenylmethanone]Methanone, 1,1'-(1,4-piperazinediyl)bis[1-phenyl-
NSC-23580SMR000117070(4-Benzoyl-piperazin-1-yl)-phenyl-methanone1,1'-(1,4-Piperazinediyl)bis[1-phenylmethanone]NSC 23580BRN 0269290N(sup 1),N(sup 4)-DibenzoylpiperazineUNII-964Y2A1KU8
Database identifiers
- CAS
6091-41-4- PubChem CID
- 80185
- DTXSID
DTXSID70209745- ChEMBL
CHEMBL1330660- UNII
- 964Y2A1KU8
- EC Number
- 621-705-5
- Nikkaji
- J50.586B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- FDA UNII
- 964 Y2A1KU8 · 964Y2A1KU8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…