1-Tert-butylpiperazine

HCID 3530572CAS 38216-72-7

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Grundinformationen

Standard-SMILES: CC(C)(C)N1CCNCC1
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
Summenformel: C8H18N2
Durchschnittliche Molmasse: 142,24 g/mol
Monoisotopische Masse: 142,14699858

Namen und Bezeichner

Bevorzugter Name: 1-Tert-butylpiperazine
IUPAC: 1-tert-butylpiperazine
Englischer Name: 1-tert-Butylpiperazine
Summenformel: C8H18N2
Molmasse: 142.24

Namen und Synonyme

1-tert-butylpiperazine38216-72-7DTXSID90393372RefChem:235444DTXCID80344232630-932-9N-tert-Butylpiperazine1-(tert-Butyl)piperazineN-t-ButylpiperazineMFCD000493591-tert-butyl-piperazine1-T-butyl piperazine

Weitere Namen anzeigen

1-T-BUTYLPIPERAZINE1-tert-Butylpiperazine,97%1-(tert-Butyl)piperazine 98+%1-(tert-Butyl)piperazine, tech1-(1,1-Dimethylethyl)piperazine2-Methyl-2-(piperazin-1-yl)propane

Piperazine, 1-(1,1-dimethylethyl)-tert-butylpiperazinetert-butyl piperazineN-t-butyl piperazine1-tert-butyl piperazine4-tert-butyl-piperazine1,1-dimethylethylpiperazineSCHEMBL104919

Datenbank-Bezeichner

CAS: 38216-72-7
PubChem CID: 3530572
DTXSID: DTXSID90393372
EC Number: 630-932-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 98

Physikochemische Eigenschaften

Schmelzpunkt: 32 · 32-35℃
Siedepunkt: 85 · 85-87℃/22mm
Dichte: 0.89 · 0.890±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.27 · 9.27±0.10(Predicted)
Aggregatzustand: Low Melting Solid
Farbe: Colorless to yellow
InChI: InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
SMILES: N1(C(C)(C)C)CCNCC1
CAS Datenbank: 38216 · 38216-72-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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.