1-(p-Tolyl)piperazin

1-(p-Tolyl)piperazine

HCID 83113CAS 39593-08-3

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Grundinformationen

Standard-SMILES: Cc1ccc(N2CCNCC2)cc1
InChIKey: ONEYFZXGNFNRJH-UHFFFAOYSA-N
Summenformel: C11H16N2
Durchschnittliche Molmasse: 176,26 g/mol
Monoisotopische Masse: 176,13134851

Namen und Bezeichner

Bevorzugter Name: 1-(p-Tolyl)piperazine
IUPAC: 1-(4-methylphenyl)piperazine
Lokaler Name: 1-(p-Tolyl)piperazin
Englischer Name: 1-(4-METHYLPHENYL)PIPERAZINE
Summenformel: C11H16N2
Molmasse: 176.26

Namen und Synonyme

1-(4-Methylphenyl)piperazine39593-08-31-(p-Tolyl)piperazineEINECS 254-534-6DTXSID90192706RefChem:428232DTXCID90115197254-534-6MFCD000407371-(4-methylphenyl)-piperazine1-p-Tolyl-piperazine4-methylphenylpiperazine

Weitere Namen anzeigen

RARECHEM AH CK 0137N-(P-TOLYL)PIPERAZINEMethylphenylpiperazine1-(4-Methyphenyl)piperazineN-(4-Methylphenyl)piperazine1,4- Methyl Phenyl piperizinePiperazine, 1-(4-methylphenyl)-

CHEMBL165462NSC-1508494-(4-methylphenyl)piperazineN-4-Tolylpiperazine4-(4-Tolyl)piperazine4-methylphenyl piperazine78DG9CN7ZMSCHEMBL81940

Datenbank-Bezeichner

CAS: 39593-08-3
PubChem CID: 83113
DTXSID: DTXSID90192706
ChEMBL: CHEMBL165462
UNII: 78DG9CN7ZM
EC Number: 254-534-6
Nikkaji: J261.399I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 144

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-32 °C
Siedepunkt: 116 °C · 116 °C
Dichte: 1.012 · 1.012
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: Low Melting Solid
pka: 9 · 9.00±0.10(Predicted)
Farbe: White to yellow
BRN: 139489 · 139489
InChI: 1S/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey: ONEYFZXGNFNRJH-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)N2CCNCC2
CAS Datenbank: 39593 · 39593-08-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (95.2%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.