1-(Morpholinocarbonylmethyl)piperazin

1-(Morpholinocarbonylmethyl)piperazine

HCID 100622CAS 39890-46-5

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Grundinformationen

Standard-SMILES: O=C(CN1CCNCC1)N1CCOCC1
InChIKey: LISKJKUMLVQGKE-UHFFFAOYSA-N
Summenformel: C10H19N3O2
Durchschnittliche Molmasse: 213,28 g/mol
Monoisotopische Masse: 213,14772685

Namen und Bezeichner

Bevorzugter Name: 1-(Morpholinocarbonylmethyl)piperazine
IUPAC: 1-morpholin-4-yl-2-piperazin-1-ylethanone
Lokaler Name: 1-(Morpholinocarbonylmethyl)piperazin
Englischer Name: 4-[2-(Piperazin-1-yl)-acetyl]-morpholine
Summenformel: C10H19N3O2
Molmasse: 213.28

Namen und Synonyme

1-(Morpholinocarbonylmethyl)piperazine5HVU6A9LQBEINECS 254-679-5NSC-332546DTXSID30192927NSC 332546RefChem:428040DTXCID70115418254-679-539890-46-51-Morpholino-2-(piperazin-1-yl)ethanone4-[2-(Piperazin-1-Yl)-Acetyl]-Morpholine

Weitere Namen anzeigen

N-PIPERAZINEACETIC ACID MORPHOLINE AMIDETIMTEC-BB SBB005546RARECHEM AH CK 0168Piperazinoacetic acid-morpholidPIPERAZINOACETIC ACID-MORPHOLIDEPIPERAZINE ACETIC ACID MORPHOLIDE4-(1-Piperazinylacetyl)morpholine4-[2-(Piperazin-1-yl)-acetyl]-morph1-(4-MORPHOLIDO)-2-PIPERAZINOETHANONE

MFCD000061721-(morpholin-4-yl)-2-(piperazin-1-yl)ethan-1-one1-(morpholin-4-yl)-2-(piperazin-1-yl)ethanone1-morpholin-4-yl-2-piperazin-1-ylethanoneMLS003170818Ethanone, 1-(4-morpholinyl)-2-(1-piperazinyl)-4-[2-(Piperazin-1-yl)acetyl]morpholine4-(piperazin-1-ylacetyl)morpholine

Datenbank-Bezeichner

CAS: 39890-46-5
PubChem CID: 100622
DTXSID: DTXSID30192927
ChEMBL: CHEMBL2134305
UNII: 5HVU6A9LQB
EC Number: 254-679-5
Nikkaji: J236.389E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 44,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 211

Physikochemische Eigenschaften

Schmelzpunkt: 63 °C · 63 °C
Siedepunkt: 389.6 · 389.6±42.0 °C(Predicted)
Dichte: 1.126 · 1.126±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
pka: 8.95 · 8.95±0.10(Predicted)
CAS Datenbank: 39890 · 39890-46-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.