1-(4-Methoxyphenyl)piperazin

1-(4-Methoxyphenyl)piperazine

HCID 269722CAS 38212-30-5

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Grundinformationen

Standard-SMILES: COc1ccc(N2CCNCC2)cc1
InChIKey: MRDGZSKYFPGAKP-UHFFFAOYSA-N
Summenformel: C11H16N2O
Durchschnittliche Molmasse: 192,26 g/mol
Monoisotopische Masse: 192,12626313

Überblick

a designer drug; structure in first source

Namen und Bezeichner

Bevorzugter Name: 1-(4-Methoxyphenyl)piperazine
IUPAC: 1-(4-methoxyphenyl)piperazine
Lokaler Name: 1-(4-Methoxyphenyl)piperazin
Englischer Name: 1-(4-Methoxyphenyl)piperazine
Summenformel: C11H16N2O
Molmasse: 192.26

Namen und Synonyme

1-(4-Methoxyphenyl)piperazine38212-30-5N-(p-methoxyphenyl)piperazineP385M92GYGJ231.894FDTXSID30191591RefChem:828535DTXCID70114082253-829-7n-(4-methoxyphenyl)piperazinePiperazine, 1-(4-methoxyphenyl)-MFCD00040736

Weitere Namen anzeigen

1-(4-anisyl)piperazineTIMTEC-BB SBB003292Miconazole Impurity 211-paramethoxyphenylazine4-(4-Methoxyphenyl)piperazine1-(4-Methoxyphenyl) piperazine-S1-(4-Methoxyphenyl)piperazine,96%

1-(4-methoxyphenyl)-piperazine4-methoxyphenylpiperazineUNII-P385M92GYGEINECS 253-829-7Posaconazole Impurity MPPACHEMBL595171-(4-Methoxy-phenyl)-piperazinePARA-METHOXYPHENYLPIPERAZINE

Datenbank-Bezeichner

CAS: 38212-30-5
PubChem CID: 269722
DTXSID: DTXSID30191591
ChEMBL: CHEMBL59517
UNII: P385M92GYG
EC Number: 253-829-7
Nikkaji: J231.894F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 24,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Collision Cross Section141.9 Å² [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Physikochemische Eigenschaften

Schmelzpunkt: 42 · 42-47 °C (lit.)
Siedepunkt: 130 °C · 130 °C
Dichte: 1.0529 · 1.0529 (rough estimate)
Brechungsindex: 1.575 · 1.5750 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 8.98 · 8.98±0.10(Predicted)
Aggregatzustand: Crystalline Low Melting Solid
Farbe: Light yellow to amber
Wasserlöslichkeit: soluble in water, methanol and toluene
BRN: 156736 · 156736
InChI: 1S/C11H16N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey: MRDGZSKYFPGAKP-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)N2CCNCC2
CAS Datenbank: 38212 · 38212-30-5(CAS DataBase Reference)

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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPiperazine, 1-(4-methoxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)