Basic information
- CAS
157637-84-8- Standard SMILES
O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1- InChIKey
VPRSFDNKFYYOGY-UHFFFAOYSA-N- Molecular formula
- C25H26N2O
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.20451346
Names & identifiers
- Preferred name
- 1-(1,1'-Biphenyl)-4-YL-3-(4-phenyl-1-piperazinyl)-1-propanone
- IUPAC
- 1-(4-phenylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
- English name
- 1-[1,1'-BIPHENYL]-4-YL-3-(4-PHENYLPIPERAZINO)-1-PROPANONE
- Molecular formula
- C25H26N2O
- Molecular weight
- 370.49
Names & synonyms
157637-84-81-(1,1'-BIPHENYL)-4-YL-3-(4-PHENYL-1-PIPERAZINYL)-1-PROPANONERefChem:419175646-691-81-[1,1'-biphenyl]-4-yl-3-(4-phenylpiperazino)-1-propanone1-([1,1'-Biphenyl]-4-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one1-(4-phenylphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one1-[1,1/'-BIPHENYL]-4-YL-3-(4-PHENYLPIPERAZINO)-1-PROPANONE1-{[1,1'-biphenyl]-4-yl}-3-(4-phenylpiperazin-1-yl)propan-1-oneMFCD03934084AKOS005108514JS-2467
Show more names
SALOR-INT L233366-1EA1-Propanone, 1-[1,1'-biphenyl]-4-yl-3-(4-phenyl-1-piperazinyl)-
Database identifiers
- CAS
157637-84-8- PubChem CID
- 4454985
- EC Number
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 557.2 · 557.2±50.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 6.31 · 6.31±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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