1-Biphenyl-3-yl-piperazine

HCID 2756712

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Grundinformationen

CAS: 115761-61-0
Standard-SMILES: c1ccc(-c2cccc(N3CCNCC3)c2)cc1
InChIKey: MHBONQZDOYFHIB-UHFFFAOYSA-N
Summenformel: C16H18N2
Durchschnittliche Molmasse: 238,33 g/mol
Monoisotopische Masse: 238,14699858

Namen und Bezeichner

Bevorzugter Name: 1-Biphenyl-3-yl-piperazine
IUPAC: 1-(3-phenylphenyl)piperazine
Englischer Name: 1-(3-Biphenylyl)piperazine
Summenformel: C16H18N2
Molmasse: 238.33

Namen und Synonyme

115761-61-01-biphenyl-3-yl-piperazineDTXSID30373491RefChem:228191DTXCID703245231-(3-Biphenylyl)piperazine1-(3-phenylphenyl)piperazine1-(biphenyl-3-yl)piperazine1-(3-Biphenylyl)-piperazineMFCD062018871-([1,1'-biphenyl]-3-yl)piperazine1-{[1,1'-biphenyl]-3-yl}piperazine

Weitere Namen anzeigen

1-(BiphenyL1-(3-BIPHENYLYL)-PIPERAZINE >98%

Piperazine, 1-[1,1'-biphenyl]-3-yl-CHEMBL21643311-biphenyl-3-ylpiperazin1-biphenyl-3-ylpiperazine3-[1-piperazinyl]biphenylSCHEMBL1914606SCHEMBL30022113MHBONQZDOYFHIB-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 115761-61-0
PubChem CID: 2756712
DTXSID: DTXSID30373491
ChEMBL: CHEMBL2164331
EC Number: 675-161-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 241

Physikochemische Eigenschaften

Schmelzpunkt: 69 °C · 69°C
Siedepunkt: 430.8 · 430.8±33.0 °C(Predicted)
Dichte: 1.068 · 1.068±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
pka: 8.92 · 8.92±0.10(Predicted)
CAS Datenbank: 115761 · 115761-61-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.