1-Cyclobutylpiperazine

HCID 4738602

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Grundinformationen

CAS: 132800-13-6
Standard-SMILES: C1CC(N2CCNCC2)C1
InChIKey: WJJKCJYVIICABH-UHFFFAOYSA-N
Summenformel: C8H16N2
Durchschnittliche Molmasse: 140,23 g/mol
Monoisotopische Masse: 140,13134852

Namen und Bezeichner

Bevorzugter Name: 1-Cyclobutylpiperazine
IUPAC: 1-cyclobutylpiperazine
Englischer Name: Piperazine, 1-cyclobutyl-
Summenformel: C8H16N2
Molmasse: 140.23

Namen und Synonyme

1-cyclobutylpiperazine132800-13-6DTXSID101314512RefChem:75476DTXCID501460585842-518-71-Cyclobutyl-piperazinePiperazine, 1-cyclobutyl-MFCD062548061-(Cyclobutyl)piperazineSCHEMBL64201SCHEMBL193442

Weitere Namen anzeigen

N-cyc-Bu-piperazine1-Cyclobutylpiperazine 132800-13-6

SCHEMBL1481868SCHEMBL27468489SCHEMBL27638708SCHEMBL28903035WJJKCJYVIICABH-UHFFFAOYSA-NALBB-035339HFA80013AKOS003587303

Datenbank-Bezeichner

CAS: 132800-13-6
PubChem CID: 4738602
DTXSID: DTXSID101314512
EC Number: 842-518-7
Nikkaji: J3.052.829H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 104

Physikochemische Eigenschaften

Siedepunkt: 217 ℃ · 217℃
Dichte: 1.014 · 1.014
Flammpunkt: 92 ℃ · 92℃
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.28 · 9.28±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 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.