1-(2,6-Xylyl)piperazin

1-(2,6-Xylyl)piperazine

HCID 70538CAS 1012-91-5

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Grundinformationen

Standard-SMILES: Cc1cccc(C)c1N1CCNCC1
InChIKey: JDVUSTNITSGJOH-UHFFFAOYSA-N
Summenformel: C12H18N2
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,14699858

Namen und Bezeichner

Bevorzugter Name: 1-(2,6-Xylyl)piperazine
IUPAC: 1-(2,6-dimethylphenyl)piperazine
Lokaler Name: 1-(2,6-Xylyl)piperazin
Englischer Name: 1-(2,6-Dimethylphenyl)piperazine
Summenformel: C12H18N2
Molmasse: 190.28

Namen und Synonyme

1-(2,6-dimethylphenyl)piperazine1012-91-51-(2,6-Xylyl)piperazineEINECS 213-791-4DTXSID70143776RefChem:420697DTXCID3066267213-791-4Piperazine, 1-(2,6-dimethylphenyl)-Piperazine, 1-(2,6-xylyl)-MFCD000380091-(2,6-dimethyl-phenyl)-piperazine

Weitere Namen anzeigen

Dimethylphenylpiperazine1-(2,6-Dimethylphenyl)piperazine,90%1-(2,6-Dimethylphenyl)piperazine 97%

6FD6M9XAW2SCHEMBL336283SCHEMBL1448499BAA012914-(2,6-Dimethylphenyl) piperazineGS1417AKOS003884887FS-1658

Datenbank-Bezeichner

CAS: 1012-91-5
PubChem CID: 70538
DTXSID: DTXSID70143776
UNII: 6FD6M9XAW2
EC Number: 213-791-4
Nikkaji: J217.131G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 165

Physikochemische Eigenschaften

Siedepunkt: 92 °C · 92 °C
Dichte: 0.999 · 0.999±0.06 g/cm3(Predicted)
pka: 8.96 · 8.96±0.10(Predicted)
CAS Datenbank: 1012 · 1012-91-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.