Basic information
- CAS
851753-43-0- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2C=O)CC1- InChIKey
QJBKIZQJOQTBCO-UHFFFAOYSA-N- Molecular formula
- C16H21FN2O3
- Average molar mass
- 308.35 g/mol
- Monoisotopic mass
- 308.1536207
Names & identifiers
- Preferred name
- tert-Butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylate
- English name
- 2-(4-Boc-piperazino-1-yl)-6-fluorobenzaldehyde
- Molecular formula
- C16H21FN2O3
- Molecular weight
- 308.35
Names & synonyms
851753-43-0tert-Butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylateMFCD118498992-(4-Boc-piperazino-1-yl)-3-fluorobenzaldehydeSCHEMBL6488803DTXSID00469299QJBKIZQJOQTBCO-UHFFFAOYSA-NTert-butyl 4-(2-fluoro-6-formyl-phenyl)piperazine-1-carboxylateAKOS015897898BS-241321-Boc-4-(2-fluoro-6-formylphenyl)piperazine2-[4-(tert-Butoxycarbonyl)-1-piperazinyl]-3-fluorobenzaldehyde
Show more names
2-(4-Boc-piperazino-1-yl)-6-fluorobenzaldehydetert-Butyl 4-(3-Fluoro-2-formylphenyl)piperazine-1-carboxylate4-(3-Fluoro-2-formyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester1-Piperazinecarboxylic acid, 4-(2-fluoro-6-formylphenyl)-, 1,1-dimethylethyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 109 · 109-110 °C(Solvent: Hexane)
- Boiling point
- 420.157 · 420.157±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Room temperature.
- pka
- 0.859 · 0.859±0.10(predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Usestert-butyl 4-(3-fluoro-2-formylphenyl)piperazine-1-carboxylate is a useful research chemical.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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