(2R,6S)-1,2,6-Trimethylpiperazine

HCID 30720221CAS 147539-61-5

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Grundinformationen

Standard-SMILES: C[C@@H]1CNC[C@H](C)N1C
InChIKey: QHVYJSBQXIIROJ-KNVOCYPGSA-N
Summenformel: C7H16N2
Durchschnittliche Molmasse: 128,22 g/mol

Namen und Bezeichner

Bevorzugter Name: (2R,6S)-1,2,6-Trimethylpiperazine
IUPAC: (2S,6R)-1,2,6-trimethylpiperazine
Englischer Name: Piperazine, 1,2,6-trimethyl-, (2R,6S)-rel- (9CI)
Summenformel: C7H16N2
Molmasse: 128.22

Namen und Synonyme

147539-61-5(2R,6S)-1,2,6-TRIMETHYLPIPERAZINERefChem:397677837-958-1cis-1,2,6-trimethylpiperazine(2r,6s)-rel-1,2,6-trimethylpiperazinePiperazine, 1,2,6-trimethyl-, (2R,6S)-rel-MFCD19217030(2s,6r)-1,2,6-trimethylpiperazinePiperazine, 1,2,6-trimethyl-, (2R,6S)-rel- (9CI)2387446-01-5SCHEMBL63773

Weitere Namen anzeigen

1,2,6-TriMethyl piperazinerel-(2R,6S)-1,2,6-Trimethylpiperazine(3r,5s)-rel-1,2,6-trimethylpiperazinePiperazine,1,2,6-trimethyl-, (2R,6S)-rel-

cis-3,4,5-trimethylpiperazineSCHEMBL1887413cis-1,2,6-trimethyl piperazinecis-3,4,5-trimethyl-piperazineQHVYJSBQXIIROJ-KNVOCYPGSA-NXFA53961AKOS006351305PB38938

Datenbank-Bezeichner

CAS: 147539-61-5
PubChem CID: 30720221
EC Number: 837-958-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 82,9

Physikochemische Eigenschaften

Siedepunkt: 154 · 154.0±8.0 °C(Predicted)
Dichte: 0.835 · 0.835±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.48 · 9.48±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, 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.