1-(4'-Fluorphenyl)piperazin

1-(4-Fluorophenyl)piperazine

HCID 75260CAS 2252-63-3

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Grundinformationen

Standard-SMILES: Fc1ccc(N2CCNCC2)cc1
InChIKey: AVJKDKWRVSSJPK-UHFFFAOYSA-N
Summenformel: C10H13FN2
Durchschnittliche Molmasse: 180,22 g/mol
Monoisotopische Masse: 180,10627664

Namen und Bezeichner

Bevorzugter Name: 1-(4-Fluorophenyl)piperazine
IUPAC: 1-(4-fluorophenyl)piperazine
Lokaler Name: 1-(4'-Fluorphenyl)piperazin
Englischer Name: 1-(4-Fluorophenyl)piperazine
Summenformel: C10H13FN2
Molmasse: 180.22

Namen und Synonyme

1-(4-Fluorophenyl)piperazine2252-63-34-Fluoro-phenylpiperazineFlipiperazinepFPPpara-fluorophenylpiperazine4-FPPVML61BE244J213.146Cp-fluoro-phenylpiperazineRefChem:523367para-fluoro-phenylpiperazine

Weitere Namen anzeigen

1-(4-Fluorophenyl)piperazine, 98% 10GRMONA-004AKOS BBS-00003614RARECHEM AH CK 0104TIMTEC-BB SBB000218LABOTEST-BB LT00053495FLUOROPHENYL PIPERAZINEp-FluorophenylpiperazineN-(p-Fluorophenyl)piperazine

218-846-64-fluorophenylpiperazineN-(4-Fluorophenyl)piperazinePiperazine, 1-(4-fluorophenyl)-1-(p-Fluorophenyl)piperazine4-(4-fluorophenyl)piperazine1-(4'-Fluorophenyl)piperazine1-(4-fluoro-phenyl)-piperazine

Datenbank-Bezeichner

CAS: 2252-63-3
PubChem CID: 75260
DTXSID: DTXSID50177039
ChEMBL: CHEMBL1184236
UNII: VML61BE244
EC Number: 218-846-6
Nikkaji: J213.146C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 149

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 30 · 30-33 °C (lit.)
Siedepunkt: 118 · 118-123 °C/0.1 mmHg (lit.)
Dichte: 1 · 1.0
Brechungsindex: 1.5585 · 1.5585-1.5605
Flammpunkt: 230 °F · >230 °F
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid After Melting
pka: 8.93 · 8.93±0.10(Predicted)
Farbe: Clear yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 610723 · 610723
InChI: 1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: AVJKDKWRVSSJPK-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)N2CCNCC2
CAS Datenbank: 2252 · 2252-63-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-(P-fluorophenyl)piperazine(2252-63-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (10.9%)

Sicherheitsdaten

wgk: 2
ridadr: 2811
hs_code: 29339900
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,T,C
hazard_note: Toxic/Corrosive
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1-(4-Fluorophenyl)piperazine is a major metabolite of Niaparazine, a sedative, hypnotic drug. Metabolites of Niaprazine occurred by N-dealkylation, N-dearylation, aromatic hydroxylation and N-oxidatio n.