4-(2-Piperazin-1-yl-ethyl)-morpholine

HCID 2734640CAS 4892-89-1

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Grundinformationen

Standard-SMILES: C1CN(CCN2CCOCC2)CCN1
InChIKey: SAJZEJMFAWZNCQ-UHFFFAOYSA-N
Summenformel: C10H21N3O
Durchschnittliche Molmasse: 199,29 g/mol
Monoisotopische Masse: 199,16846229

Namen und Bezeichner

Bevorzugter Name: 4-(2-Piperazin-1-yl-ethyl)-morpholine
IUPAC: 4-(2-piperazin-1-ylethyl)morpholine
Englischer Name: 1-[2-(Morpholin-4-yl)-ethyl]-piperazine
Summenformel: C10H21N3O
Molmasse: 199.29

Namen und Synonyme

4892-89-14-(2-Piperazin-1-yl-ethyl)-morpholineDTXSID60370413RefChem:287418DTXCID403214484-(2-(Piperazin-1-yl)ethyl)morpholine1-[2-(morpholin-4-yl)-ethyl]-piperazine4-[2-(Piperazin-1-Yl)Ethyl]Morpholine4-(2-piperazin-1-ylethyl)morpholineMFCD001912171-(2-morpholinoethyl)piperazine1-[2-(morpholin-4-yl)ethyl]piperazine

Weitere Namen anzeigen

BUTTPARK 75\08-791-(2-Morpholinoethyl)-piperazin1-[2-(Morpholin-4-yl)-ethyl]-pipera4-[2-(1-Piperazinyl)ethyl]-morpholine1-[2-(4-Morpholino)ethyl]piperazine 98%

1-(2-morpholinoethyl)-piperazine1-[2-(4-morpholino)ethyl]piperazine1-[2-(4-Morpholinyl)ethyl]piperazine1-[2-(Morpholin-4-yl)-ethyl]piperazine4-(2-piperazinylethyl)morpholine1-(2-(Morpholin-4-yl)ethyl)piperazineRARECHEM AH CK 01432-morpholinylethylpiperazine

Datenbank-Bezeichner

CAS: 4892-89-1
PubChem CID: 2734640
DTXSID: DTXSID60370413
ChEMBL: CHEMBL1708120
EC Number: 671-455-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 27,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 153

Experimentelle und physikochemische Eigenschaften

Solubility22.7 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-38℃
Siedepunkt: 82 · 82-84 °C (0.37505 mmHg)
Dichte: 1.018 · 1.018±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 9.21 · 9.21±0.10(Predicted)
Aggregatzustand: Low Melting Crystals or Oil
Farbe: White to light yellow
InChI: InChI=1S/C10H21N3O/c1-3-12(4-2-11-1)5-6-13-7-9-14-10-8-13/h11H,1-10H2
InChIKey: SAJZEJMFAWZNCQ-UHFFFAOYSA-N
SMILES: N1(CCN2CCNCC2)CCOCC1
CAS Datenbank: 4892 · 4892-89-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.