N-(α,α,α-Trifluor-3-tolyl)piperazin
1-(3-(Trifluoromethyl)phenyl)piperazine
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
15532-75-9- Standard-SMILES
FC(F)(F)c1cccc(N2CCNCC2)c1- InChIKey
KKIMDKMETPPURN-UHFFFAOYSA-N- Summenformel
- C11H13F3N2
- Durchschnittliche Molmasse
- 230,23 g/mol
- Monoisotopische Masse
- 230,10308291
Überblick
1-(3-(trifluoromethyl)phenyl)piperazine is a N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. It has a role as a psychotropic drug, a xenobiotic, a serotonergic agonist and an environmental contaminant. It is a N-arylpiperazine and a member of (trifluoromethyl)benzenes.
Namen und Bezeichner
- Bevorzugter Name
- 1-(3-(Trifluoromethyl)phenyl)piperazine
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]piperazine
- Lokaler Name
- N-(α,α,α-Trifluor-3-tolyl)piperazin
- Englischer Name
- N-(3-Trifluoromethylphenyl)piperazine
- Summenformel
- C11H13F3N2
- Molmasse
- 230.23
Namen und Synonyme
15532-75-91-[3-(Trifluoromethyl)phenyl]piperazineTFMPP1-(3-(Trifluoromethyl)phenyl)piperazine1-(3-Trifluoromethylphenyl)piperazine3-trifluoromethylphenylpiperazine1-(m-trifluoromethylphenyl)piperazine25R3ONU51CNSC-128882J209.034ACHEBI:83536RefChem:424136
Weitere Namen anzeigen
TFTPAKOS BBS-00003586RARECHEM AH CK 0203LABOTEST-BB LT000444621-(3-Methoxyphenyl)piperaFlibanserin Impurity 2 Monomer1-(3-TRIFLUOROMETHYL)-PIPERAZINE3-(1-piperazino)benzotrifluoride1-(3-Trifloromethyphenyl)piperazinN-(3-TRIFLUOROMETHYLPHENYL)PIPERAZINE
239-574-4TrifluoromethylphenylpiperazineN-(alpha,alpha,alpha-Trifluoro-3-tolyl)piperazinePiperazine, 1-[3-(trifluoromethyl)phenyl]-Spectrum_0002271-(3-Trifluoromethyl-phenyl)-piperazineN-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazineN-(-(3-Trifluoromethyl)phenyl)piperazine
Datenbank-Bezeichner
- CAS
15532-75-9- PubChem CID
- 4296
- DTXSID
DTXSID10165876- ChEMBL
CHEMBL274866- ChEBI
CHEBI:83536- UNII
- 25R3ONU51C
- EC Number
- 239-574-4
- Nikkaji
- J209.034A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 15,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 224
Experimentelle und physikochemische Eigenschaften
DrugsDEA NFLIS-Drug Category -> Piperazines (Hallucinogen)
LogP2.43
Collision Cross Section151.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Physikochemische Eigenschaften
- Siedepunkt
- 100 · 100-102°C 0,1mm
- Dichte
- 1.226 g/mL · 1.226 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.521(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- pka
- 8.88 · 8.88±0.10(Predicted)
- Aggregatzustand
- liquid
- BRN
- 614217 · 614217
- Major Application
- forensics and toxicology
- InChI
- 1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H/i4D2,7D2;
- InChIKey
- DGNLGWJZZZOYPT-DCZHHYCSSA-N
- SMILES
- Cl.[2H]C1([2H])CN(c2cccc(c2)C(F)(F)F)C([2H])([2H])CN1
- CAS Datenbank
- 15532 · 15532-75-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Piperazine, 1-[3-(trifluoromethyl)phenyl]-(15532-75-9)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (11.4%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2735
- hs_code
- 29335995
- RTECS-Nr.
- TM2820000
- risk_code
- 36/37/38
- hazard_code
- Xi,C
- hazard_note
- Corrosive
- safety_code
- 26-36
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites1-(3-Trifluoromethylphenyl)piperazine has known human metabolites that include HO-TFMPP.
MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug.
Zugehörige Reaktionen
158
Notizen zur Verbindung
Wird geladen…