4-(Diphenylmethyl)-1-piperazineethanol

HCID 4742573CAS 10527-64-7

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Grundinformationen

Standard-SMILES: OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: QEYZAHKHYSGDJK-UHFFFAOYSA-N
Summenformel: C19H24N2O
Durchschnittliche Molmasse: 296,4 g/mol
Monoisotopische Masse: 296,18886339

Namen und Bezeichner

Bevorzugter Name: 4-(Diphenylmethyl)-1-piperazineethanol
IUPAC: 2-(4-benzhydrylpiperazin-1-yl)ethanol
Englischer Name: 2-(4-benzhydrylpiperazin-1-yl)ethanol
Summenformel: C19H24N2O
Molmasse: 296.41

Namen und Synonyme

10527-64-7Cetirizine alcohol4-benzhydryl-1-piperazineethanol4-(Diphenylmethyl)-1-piperazineethanol1-Piperazineethanol, 4-(diphenylmethyl)-9AMR7XC6Q8RefChem:1985962-(4-benzhydrylpiperazin-1-yl)ethanol1-diphenylmethyl-4-(2-hydroxyethyl)piperazine2-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-ol2-(4-benzhydrylpiperazin-1-yl)ethan-1-olUNII-9AMR7XC6Q8

Weitere Namen anzeigen

Cetirizine Impurity 2Manidipine Impurity 102-(4-benhdryl-piperazin-1-yl)-enthanol2-[4-(Diphenylmethyl)piperazin-1-yl]ethanolUSP Cetirizine Related Compound B (free base)Cetirizine USP-RC-B(free base)/Manidipine Impurity 1

MFCD06742676CETIRIZINE IMPURITY 46SCHEMBL1491229SCHEMBL7381083SCHEMBL8629042CHEMBL1254795QEYZAHKHYSGDJK-UHFFFAOYSA-NDTXSID401283035

Datenbank-Bezeichner

CAS: 10527-64-7
PubChem CID: 4742573
DTXSID: DTXSID401283035
ChEMBL: CHEMBL1254795
UNII: 9AMR7XC6Q8
EC Number: 812-114-5
Nikkaji: J313.863A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 26,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 22
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Siedepunkt: 180 °C · 180 °C(Press: 0.01 Torr)
Dichte: 1.115 · 1.115±0.06 g/cm3(Predicted)
Dampfdruck: 1.333 Pa · 1.333Pa at 180℃
pka: 14.96 · 14.96±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P330, P331, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.