Basic information
- CAS
766473-61-4- Standard SMILES
O=[N+]([O-])c1ccccc1N1CCN(c2ccc(O)cc2)CC1- InChIKey
RYTVDJONFGIBPE-UHFFFAOYSA-N- Molecular formula
- C16H17N3O3
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.12699141
Names & identifiers
- Preferred name
- 4-(4-(2-Nitrophenyl)piperazin-1-yl)phenol
- IUPAC
- 4-[4-(2-nitrophenyl)piperazin-1-yl]phenol
- English name
- Phenol, 4-[4-(2-nitrophenyl)-1-piperazinyl]-
- Molecular formula
- C16H17N3O3
- Molecular weight
- 299.32
Names & synonyms
Posaconazole Impurity 156766473-61-44-(4-(2-nitrophenyl)piperazin-1-yl)phenol4-[4-(2-nitrophenyl)piperazin-1-yl]phenolDTXSID401272400AKOS0170776124-[4-(2-Nitrophenyl)-1-piperazinyl]phenolZ31212984PosacozoleImpurity97Phenol, 4-[4-(2-nitrophenyl)-1-piperazinyl]-
Database identifiers
- CAS
766473-61-4- PubChem CID
- 7410488
- DTXSID
DTXSID401272400
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 529.6 · 529.6±50.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.30(Predicted)
Chemistry & industry
Suppliers12 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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