1-(2-Methoxyphenyl)piperaziniumchlorid

N-(2-Methoxyphenyl)piperazine hydrochloride

HCID 9899402CAS 5464-78-8

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Grundinformationen

Standard-SMILES: COc1ccccc1N1CCNCC1.Cl
InChIKey: DDMVHGULHRJOEC-UHFFFAOYSA-N
Summenformel: C11H17ClN2O
Durchschnittliche Molmasse: 228,72 g/mol
Monoisotopische Masse: 228,10294084

Namen und Bezeichner

Bevorzugter Name: N-(2-Methoxyphenyl)piperazine hydrochloride
IUPAC: 1-(2-methoxyphenyl)piperazine;hydrochloride
Lokaler Name: 1-(2-Methoxyphenyl)piperaziniumchlorid
Englischer Name: 1-(2-Methoxyphenyl)piperazine hydrochloride
Summenformel: C11H17ClN2O
Molmasse: 228.71848

Namen und Synonyme

1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-8N-(2-Methoxyphenyl)piperazine hydrochlorideDTXSID50514403XQ74IHW73Piperazine, 1-(2-methoxyphenyl)-, monohydrochloride2-MEOPP HCLEINECS 226-762-6NSC-28709PIPERAZINE, 1-(2-METHOXYPHENYL)-, HYDROCHLORIDE (1:1)1-(2-Methoxyphenyl)piperazinium chlorideDTXCID0030037

Weitere Namen anzeigen

TIMTEC-BB SBB003293Urapidil Impurity B)piperazine hydrochLLABOTEST-BB LT00159868Urapidil Impurity 6 HClNatalizumab (Anti-CD49d)1,3-dimethyl-17-nitrosourea2-MethoxyphenylPiperazineHClo-Methoxyphenyl Piperazine HCl

1-(2-methoxyphenyl)piperazine monohydrochlorideNSC 287091-[2-methoxyphenyl)piperazine hydrochlorideRefChem:825588MFCD000127621-(2-methoxyphenyl)piperazine;hydrochlorideNCGC00094390-01Ompp

Datenbank-Bezeichner

CAS: 5464-78-8、66373-53-3
PubChem CID: 9899402
DTXSID: DTXSID5051440
ChEMBL: CHEMBL1256365
UNII: 3XQ74IHW73
EC Number: 226-762-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 24,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 169

Experimentelle und physikochemische Eigenschaften

Solubility28.2 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 217 · 217-219 °C(lit.)
Siedepunkt: 130 · 130-133C
Dichte: 1.106 g/cm · 1.106g/cm
Brechungsindex: 1 · 1,574-1,576
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in DMSO and Methanol.
Aggregatzustand: A crystalline solid
BRN: 4276925 · 4276925
InChI: InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKey: DDMVHGULHRJOEC-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2OC)CCNCC1.[H]Cl
CAS Datenbank: 5464 · 5464-78-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.

Danger

H301 (40.3%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 67 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.