1-(1,1'-Biphenyl)-4-YL-3-(4-(4-hydroxyphenyl)-1-piperazinyl)-1-propanone
Basic information
- CAS
477328-81-7- Standard SMILES
O=C(CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(-c2ccccc2)cc1- InChIKey
RBKLMELMUAALHV-UHFFFAOYSA-N- Molecular formula
- C25H26N2O2
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.19942808
Names & identifiers
- Preferred name
- 1-(1,1'-Biphenyl)-4-YL-3-(4-(4-hydroxyphenyl)-1-piperazinyl)-1-propanone
- IUPAC
- 3-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-one
- English name
- 1-[1,1'-Biphenyl]-4-yl-3-[4-(4-hydroxyphenyl)piperazino]-1-propanone
- Molecular formula
- C25H26N2O2
- Molecular weight
- 386.49
Names & synonyms
477328-81-71-(1,1'-BIPHENYL)-4-YL-3-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)-1-PROPANONERefChem:419167646-669-81-([1,1'-Biphenyl]-4-yl)-3-(4-(4-hydroxyphenyl)piperazin-1-yl)propan-1-one1-[1,1'-biphenyl]-4-yl-3-[4-(4-hydroxyphenyl)piperazino]-1-propanone3-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-(4-phenylphenyl)propan-1-one1-{[1,1'-biphenyl]-4-yl}-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-oneMFCD03934087AKOS005108543JS-2470SALOR-INT L233390-1EA
Show more names
1-Propanone, 1-[1,1'-biphenyl]-4-yl-3-[4-(4-hydroxyphenyl)-1-piperazinyl]-
Database identifiers
- CAS
477328-81-7- PubChem CID
- 4099733
- EC Number
- 646-669-8
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 608.8 · 608.8±55.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H410-H319
- Precautionary statements
- 273 · P273-P391-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
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
- H315-H335-H410-H319
- Precautionary statements
- P273-P391-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
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