1-(2-Fluorophenyl)piperazine Hydrochloride - ≥98%(T) , CAS No.1011-16-1

CAS: 1011-16-1 Cat. No.: F156584 Molecular Weight: 216.68 EC Number: 623-113-2 PubChem CID: 2734698

GRADE & PURITY ≥98%(T)

Synonyms

1-(2-Fluorophenyl)piperazine monohydrochloride, 98% | JVQOFQHGEFLRRQ-UHFFFAOYSA-N | 1-(2-fluorophenyl)piperazine;hydrochloride | 1-(2-Fluorophenyl)piperazine--hydrogen chloride (1/1) | 1-(2-fluoro phenyl) piperazine hcl | DTXSID80998153 | Piperazine,1-(2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(2-Fluorophenyl)piperazine monohydrochloride, 98% | JVQOFQHGEFLRRQ-UHFFFAOYSA-N | 1-(2-fluorophenyl)piperazine;hydrochloride | 1-(2-Fluorophenyl)piperazine--hydrogen chloride (1/1) | 1-(2-fluoro phenyl) piperazine hcl | DTXSID80998153 | Piperazine, 1-(2-

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488192653
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192653
• Canonical Smiles: C1CN(CCN1)C2=CC=CC=C2F.Cl
• IUPAC Name: 1-(2-fluorophenyl)piperazine;hydrochloride
• InChIKey: JVQOFQHGEFLRRQ-UHFFFAOYSA-N
• INCHI: 1S/C10H13FN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
• Isomeric SMILES: C1CN(CCN1)C2=CC=CC=C2F.Cl
• PubChem CID: 2734698
• Molecular Weight: 216.68
• Reaxy-Rn: 4024281

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organohalogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 190 °C
• Molecular Weight: 216.680 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 216.083 Da
• Monoisotopic Mass: 216.083 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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