1-(2-Methoxyphenyl)piperazin

1-(2-Methoxyphenyl)piperazine

HCID 1346CAS 35386-24-4

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Grundinformationen

Standard-SMILES: COc1ccccc1N1CCNCC1
InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N
Summenformel: C11H16N2O
Durchschnittliche Molmasse: 192,26 g/mol
Monoisotopische Masse: 192,12626313

Überblick

1-(2-methoxyphenyl)piperazine is a member of piperazines.

Namen und Bezeichner

Bevorzugter Name: 1-(2-Methoxyphenyl)piperazine
IUPAC: 1-(2-methoxyphenyl)piperazine
Lokaler Name: 1-(2-Methoxyphenyl)piperazin
Englischer Name: 1-(2-Methoxyphenyl)piperazine
Summenformel: C11H16N2O
Molmasse: 192.26

Namen und Synonyme

1-(2-Methoxyphenyl)piperazine35386-24-4N-(2-methoxyphenyl)piperazine81NJO1330Ao-methoxyphenylpiperazineDTXSID40188871D-15157RefChem:4224241-(ortho-methoxyphenyl)piperazineDTXCID00111362252-537-71-(2-Methoxyphenyl)-piperazine

Weitere Namen anzeigen

D 15157AKOS BBS-00003584Uradil impurity 18Urapidil Impurity 6TIMTEC-BB SBB003620RARECHEM AH CK 01262-PiperazinoanisoleUrapidil Impurity CLABOTEST-BB LT00233095

2-MPP1-(o-Methoxyphenyl)piperazinePiperazine, 1-(2-methoxyphenyl)-1-(2-Methoxy-phenyl)-piperazineMFCD000059582-methoxyphenylpiperazine1-(2-methoxy phenyl) piperazine1-(o-Anisyl)piperazine

Datenbank-Bezeichner

CAS: 35386-24-4
PubChem CID: 1346
DTXSID: DTXSID40188871
ChEMBL: CHEMBL9666
ChEBI: CHEBI:104020
UNII: 81NJO1330A
EC Number: 252-537-7
Nikkaji: J149.916E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 24,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 169

Experimentelle und physikochemische Eigenschaften

DrugsDEA NFLIS-Drug Category -> Piperazines (Stimulant)

LogP1.09

Collision Cross Section140.5 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-40 °C (lit.)
Siedepunkt: 130 · 130-133 °C/0.1 mmHg (lit.)
Dichte: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.575(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid After Melting
pka: 8.98 · 8.98±0.10(Predicted)
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Soluble in chloroform, ethyl acetate, and methanol. Insoluble in water
BRN: 167888 · 167888
InChI: InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2OC)CCNCC1
LogP: 1.67 · 1.67
CAS Datenbank: 35386 · 35386-24-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 12.3% (7 of 57) of reports.

Danger

H314 (84.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 9 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20083

Hazard Classes and CategoriesSkin Corr. 1B (84.2%)

Sicherheitsdaten

F: 3-10
wgk: 3
ridadr: UN 3263 8/PG 3
hs_code: 29349990
risk_code: 34-36/37/38
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-28A-36
hazard_class: 8
packing_group: Ⅲ
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(2-Methoxyphenyl)piperazine can be used:To functionalize pyrazolylvinyl ketones via Aza-Michael addition reaction.To prepare cyclic amine substituted Trger′s base derivatives.To prepare functionalized bis(mercaptoimidazolyl)borates by reacting with the activated ester, [(1-methyl-2-mercaptoimidazol-5-yl)carbonyl]succinimide.