1-(Cyclopropylcarbonyl)piperazine

HCID 2064235

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Grundinformationen

CAS: 59878-57-8
Standard-SMILES: O=C(C1CC1)N1CCNCC1
InChIKey: KIALFUYSJAAJSU-UHFFFAOYSA-N
Summenformel: C8H14N2O
Durchschnittliche Molmasse: 154,21 g/mol
Monoisotopische Masse: 154,11061307

Namen und Bezeichner

Bevorzugter Name: 1-(Cyclopropylcarbonyl)piperazine
IUPAC: cyclopropyl(piperazin-1-yl)methanone
Englischer Name: 1-(CYCLOPROPANECARBONYL)PIPERAZINE 97
Summenformel: C8H14N2O
Molmasse: 154.21

Namen und Synonyme

1-(Cyclopropylcarbonyl)piperazineRefChem:427575626-499-059878-57-8cyclopropyl(piperazin-1-yl)methanone1-cyclopropanecarbonylpiperazineCyclopropyl-piperazin-1-yl-methanoneMFCD06369645Piperazine, 1-(cyclopropylcarbonyl)-1-cyclopropylcarbonylpiperazineCHEMBL3329525N-(Cyclopropylcarbonyl)piperazine

Weitere Namen anzeigen

Cyclopropyl(piperazin-1-yl)methan-1-one hydrochlorideyl]-benzonitrileCyclopropanecarbonyl piperazine1-(Cyclopropylcarbonyl)-piperazin1-(Cyclopropanecarbonyl)plperazineclopropyl(piperazin-1-yl)methanone

Cyclopropyl-1-piperazinylmethanoneCyclopropyl(1-piperazinyl)methanoneMethanone, cyclopropyl-1-piperazinyl-1-CyclopropanoylpiperazineSCHEMBL4981SCHEMBL8314P2E5L38YCGcyclopropyl piperazinyl ketone

Datenbank-Bezeichner

CAS: 59878-57-8
PubChem CID: 2064235
DTXSID: DTXSID30975277
ChEMBL: CHEMBL3329525
UNII: P2E5L38YCG
EC Number: 626-499-0
Nikkaji: J2.910.527H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Siedepunkt: 120 °C/0.15 · 120 °C/0.15 mmHg
Dichte: 1.087 g/mL · 1.087 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.524
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 8.47 · 8.47±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Colorless to pale brown
InChI: InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2
InChIKey: WIHDAPMHNYYTOA-UHFFFAOYSA-N
SMILES: C(C1CC1)(N1CCNCC1)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 6.2% (3 of 48) of reports.

Danger

H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.