1-(2,3-Xylyl)piperazin

1-(2,3-Xylyl)piperazine

HCID 70541CAS 1013-22-5

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Grundinformationen

Standard-SMILES: Cc1cccc(N2CCNCC2)c1C
InChIKey: LIKXJDINUMWKQA-UHFFFAOYSA-N
Summenformel: C12H18N2
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,14699858

Namen und Bezeichner

Bevorzugter Name: 1-(2,3-Xylyl)piperazine
IUPAC: 1-(2,3-dimethylphenyl)piperazine
Lokaler Name: 1-(2,3-Xylyl)piperazin
Englischer Name: 1-(2,3-Dimethylphenyl)piperazine
Summenformel: C12H18N2
Molmasse: 190.28

Namen und Synonyme

1-(2,3-Dimethylphenyl)piperazinePiperazine, 1-(2,3-dimethylphenyl)-1-(2,3-Xylyl)piperazine4J6RHZ6CSAEINECS 213-794-0DTXSID60143826N-(2,3-DIMETHYLPHENYL)PIPERAZINERefChem:73976DTXCID6066317213-794-0LIKXJDINUMWKQA-UHFFFAOYSA-N1013-22-5

Weitere Namen anzeigen

AKOS BBS-00003579RARECHEM AH CK 0093TIMTEC-BB SBB0036521-(2,3-DiMethylphenyl)-piperidine2-Methyl-150-nitrobenzyl&chloride1-(2,3-Dimethylphenyl)piperazine,99%1-(2,3-dimethylphenyl)piperazin-4-ium

1-(2,3-Dimethylphenyl)-piperazineMFCD00040730Piperazine, 1-(2,3-xylyl)-(2,3-dimethylphenyl)piperazine1-(2,3-Xylyl)-piperazine; 1-(2,3-Dimethylphenyl)piperazine; 1-(2,3-Xylyl)piperazine; 4-(2,3-Dimethylphenyl)piperazine; N-(2,3-Dimethylphenyl)piperazinePiperazine,1-(2,3-dimethylphenyl)-UNII-4J6RHZ6CSASCHEMBL218837

Datenbank-Bezeichner

CAS: 1013-22-5
PubChem CID: 70541
DTXSID: DTXSID60143826
ChEMBL: CHEMBL2335161
UNII: 4J6RHZ6CSA
EC Number: 213-794-0
Nikkaji: J217.132E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Siedepunkt: 95 °C · 95 °C
Dichte: 1.031 · 1.031
Brechungsindex: 1.5566 · 1.5566-1.5606
storage temp.: 0 · 0-6°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Viscous Liquid
pka: 9.05 · 9.05±0.10(Predicted)
Farbe: Clear light yellow
CAS Datenbank: 1013 · 1013-22-5(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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.