1-(1-Naphthyl)piperazine hydrochloride

HCID 2737391

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Grundinformationen

CAS: 104113-71-5
Standard-SMILES: Cl.c1ccc2c(N3CCNCC3)cccc2c1
InChIKey: ZYVYPNZFOCZLEM-UHFFFAOYSA-N
Summenformel: C14H17ClN2
Durchschnittliche Molmasse: 248,75 g/mol
Monoisotopische Masse: 248,10802622

Namen und Bezeichner

Bevorzugter Name: 1-(1-Naphthyl)piperazine hydrochloride
IUPAC: 1-naphthalen-1-ylpiperazine;hydrochloride
Englischer Name: 1-(1-Naphthyl)piperazine hydrochloride
Summenformel: C14H17ClN2
Molmasse: 248.75

Namen und Synonyme

1-(1-Naphthyl)piperazine hydrochloride104113-71-51-(Naphthalen-1-yl)piperazine hydrochloridenaphthylpiperazine hydrochloride1-(1-Naphthyl)piperazine (hydrochloride)MFCD000551611-NP1-naphthalen-1-ylpiperazine;hydrochloride1-(1-Naphthyl)piperazine HCl1-(1-Naphthyl)piperazinemiddotHCl1-(Naphth-1-yl)piperazine diHCl1-Naphthalen-1-yl-piperazine hydrochloride

Weitere Namen anzeigen

NPPITIMTEC-BB SBB0031611-(1-NAPHTHYL)PIPERAZINE1-(1-Naphthalenyl)piperazine1-(1-Naphthyl)piperazine*2HCl1-(Piperazin-1-yl)naphthalene1-(Naphthalen-1-yl)piperazineHCl

EU-0101181MLS000859936SCHEMBL466870orb1306295CHEMBL1256192DTXSID30908803ZYVYPNZFOCZLEM-UHFFFAOYSA-NTox21_501181

Datenbank-Bezeichner

CAS: 104113-71-5
PubChem CID: 2737391
DTXSID: DTXSID30908803
ChEMBL: CHEMBL1256192
EC Number: 673-494-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 223

Experimentelle und physikochemische Eigenschaften

Solubility>37.3 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 235 · 235-237 °C
storage temp.: -20 °C · Store at -20°C
Löslichkeit: 2 O: · H2O: soluble
Aggregatzustand: needles
Farbe: white
InChI: InChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H
InChIKey: ZYVYPNZFOCZLEM-UHFFFAOYSA-N
SMILES: C1(C=CC=C2C=CC=CC=12)N1CCNCC1.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung1-(1-Naphthyl)piperazine (1-NP) is a ligand for serotonin (5-hydroxytryptamine, 5-HT) receptors. It acts as an antagonist for 5-HT at 5-HT1 and 5-HT2 in rat cortical membranes with IC50 values of 6 and 1 nM, respectively. 1-NP also blocks contraction in the rat fundus induced by either 5-HT or tryptamine (IC50 = 1 nM for both agonists). 1-NP mimics the 5-HT1 agonist 1-(m-trifluoromethylphenyl)piperazine (TFMPP, ) in decreasing 5-HT receptor turnover and increasing serum corticosterone, suggesting that, in the absence of 5-HT, 1-NP may act as an agonist of the 5-HT1 receptor. However, in squirrel monkeys, 1-NP acts as a non-selective 5-HT receptor antagonist in altering operant behavior. 1-NP also binds to the human 5-HT6 receptor with an affinity comparable to that of 5-HT (Kis = 120 and 100 nM, respectively).

Verwenden1-(1-Naphthyl)piperazinemiddotHCl is a mixed agonist/antagonist of the serotonin receptors.