2-(Propan-2-yl)piperazine

HCID 558976CAS 84468-53-1

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Grundinformationen

Standard-SMILES: CC(C)C1CNCCN1
InChIKey: HBCSNWKQNPKIHK-UHFFFAOYSA-N
Summenformel: C7H16N2
Durchschnittliche Molmasse: 128,22 g/mol
Monoisotopische Masse: 128,13134852

Namen und Bezeichner

Bevorzugter Name: 2-(Propan-2-yl)piperazine
IUPAC: 2-propan-2-ylpiperazine
Englischer Name: 2-Isopropyl-piperazine
Summenformel: C7H16N2
Molmasse: 128.22

Namen und Synonyme

84468-53-12-(PROPAN-2-YL)PIPERAZINERefChem:462016804-501-22-Isopropylpiperazine2-propan-2-ylpiperazineMFCD07373042(2R)-2-propan-2-ylpiperazine2-ISOPROPYL-PIPERAZINEracemic 2-isopropylpiperazineSCHEMBL193923SCHEMBL194131

Weitere Namen anzeigen

2-ISOPROPYLPIPERAZINE-2HCl2-(1-Methylethyl)piperazinePiperazine, 2-(1-methylethyl)-2-Isopropylpiperazine dihydrochloride

F2147-0828SCHEMBL2911557AKOS006287262AB36138AB36140AB36142AT22713SY023931

Datenbank-Bezeichner

CAS: 84468-53-1
PubChem CID: 558976
EC Number: 804-501-2
Nikkaji: J1.428.039A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 81

Physikochemische Eigenschaften

Siedepunkt: 184.1 · 184.1±8.0 °C(Predicted)
Dichte: 0.851 · 0.851±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 9.21 · 9.21±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.