1-(2,5-Xylyl)piperazin

1-(2,5-Xylyl)piperazine

HCID 70542CAS 1013-25-8

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Grundinformationen

Standard-SMILES: Cc1ccc(C)c(N2CCNCC2)c1
InChIKey: YRIFWVMRUFKWLM-UHFFFAOYSA-N
Summenformel: C12H18N2
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,14699858

Namen und Bezeichner

Bevorzugter Name: 1-(2,5-Xylyl)piperazine
IUPAC: 1-(2,5-dimethylphenyl)piperazine
Lokaler Name: 1-(2,5-Xylyl)piperazin
Englischer Name: 1-(2,5-DIMETHYLPHENYL)PIPERAZINE
Summenformel: C12H18N2
Molmasse: 190.28

Namen und Synonyme

1-(2,5-Dimethylphenyl)piperazine1013-25-81-(2,5-Xylyl)piperazineEINECS 213-795-6DTXSID20143827RefChem:420601DTXCID1066318213-795-6Piperazine, 1-(2,5-dimethylphenyl)-MFCD00038378(2,5-dimethylphenyl)piperazine1-(2,5-Dimethyl-phenyl)-piperazine

Weitere Namen anzeigen

AKOS BB-5740AKOS BBS-000035984-(510-Butyl)phenolTIMTEC-BB SBB003654LABOTEST-BB LT004552551-(2,5-Dimethylphenyl)piperazine,99%1-(2,5-DIMETHYLPHENYL)PIPERAZINE 99%

2,5-dimethylphenylpiperazineSCHEMBL255418SCHEMBL3123741SCHEMBL29805912N-(2,5-Dimethylphenyl)piperazine1-(2,5-dimethylphenyl)-piperazine4-(2,5-dimethyl-phenyl)piperazineBAA01325

Datenbank-Bezeichner

CAS: 1013-25-8
PubChem CID: 70542
DTXSID: DTXSID20143827
EC Number: 213-795-6
Nikkaji: J217.133C

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

Schmelzpunkt: 42 · 42-46 °C
Siedepunkt: 154 °C · 154°C 10mm
Dichte: 1.032 · 1.0320 (rough estimate)
Brechungsindex: 1.5586 · 1.5586 (estimate)
Flammpunkt: 154 °C/10mm · 154°C/10mm
storage temp.: 0 · 0-6°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 9.05 · 9.05±0.10(Predicted)
Farbe: White to Light yellow
BRN: 611229 · 611229
InChI: 1S/C12H18N2/c1-10-3-4-11(2)12(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKey: YRIFWVMRUFKWLM-UHFFFAOYSA-N
SMILES: Cc1ccc(C)c(c1)N2CCNCC2
CAS Datenbank: 1013 · 1013-25-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.