Basic information
- CAS
179334-10-2- Standard SMILES
O=C(c1cccc(F)c1)N1CCNCC1- InChIKey
KXFXHXPKGLLUGX-UHFFFAOYSA-N- Molecular formula
- C11H13FN2O
- Average molar mass
- 208.23 g/mol
- Monoisotopic mass
- 208.1011912
Names & identifiers
- Preferred name
- 1-(3-Fluorobenzoyl)piperazine
- IUPAC
- (3-fluorophenyl)-piperazin-1-ylmethanone
- English name
- (3-FLUORO-PHENYL)-PIPERAZIN-1-YL-METHANONE
- Molecular formula
- C11H13FN2O
- Molecular weight
- 208.23
Names & synonyms
179334-10-21-(3-fluorobenzoyl)piperazineDTXSID80386819RefChem:224393DTXCID80337841(3-Fluoro-phenyl)-piperazin-1-yl-methanone(3-fluorophenyl)(piperazin-1-yl)methanone(3-fluorophenyl)-piperazin-1-ylmethanoneMFCD01828965Methanone, (3-fluorophenyl)-1-piperazinyl-(3-fluorophenyl)-piperazin-1-yl-methanoneA1AJ8
Show more names
3-FLUOROBENZOIC ACID, PIPERAZIDE
3-fluorophenyl piperazinyl ketoneOprea1_038861Oprea1_774472SCHEMBL2336862SCHEMBL3123564SCHEMBL27829799KXFXHXPKGLLUGX-UHFFFAOYSA-NGS3262
Database identifiers
- CAS
179334-10-2- PubChem CID
- 2873560
- DTXSID
DTXSID80386819- Nikkaji
- J2.881.681B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 352.8 · 352.8±37.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.10(Predicted)
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- 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
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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