Basic information
- CAS
21091-90-7- Standard SMILES
COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1- InChIKey
GDCTVWOWUWCETC-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- Piperazine, 1-(4-methoxybenzoyl)-4-phenyl-
- IUPAC
- (4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
- English name
- (4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
- Molecular formula
- C18H20N2O2
- Molecular weight
- 296.36
Names & synonyms
21091-90-7Piperazine, 1-(4-methoxybenzoyl)-4-phenyl-DTXSID50351817RefChem:372385DTXCID903028831-(4-Methoxybenzoyl)-4-phenylpiperazine(4-methoxyphenyl)(4-phenylpiperazin-1-yl)methanone(4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methanoneOprea1_718579Oprea1_762164STK016786AKOS003235640
Show more names
(4-Methoxyphenyl)(4-phenyl-1-piperazinyl)methanone
CCG-287080ST0106664-methoxyphenyl 4-phenylpiperazinyl ketoneAB00082821-01SR-01000477874SR-01000477874-1Methanone, (4-methoxyphenyl)(4-phenyl-1-piperazinyl)-(4-methoxyphenyl)(4-phenylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
Database identifiers
- CAS
21091-90-7- PubChem CID
- 710648
- DTXSID
DTXSID50351817- EC Number
- 169-438-9
- Nikkaji
- J2.218.490C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 160.2 · 160.2-161.7 °C
- Boiling point
- 488.6 · 488.6±40.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.10(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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