4-(Diphenylmethyl)-1-piperazineethanol

HCID 4742573CAS 10527-64-7

基本情報

標準SMILES: OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: QEYZAHKHYSGDJK-UHFFFAOYSA-N
分子式: C19H24N2O
平均分子量: 296.4 g/mol
単同位体質量: 296.18886339

名称と識別子

優先名称: 4-(Diphenylmethyl)-1-piperazineethanol
IUPAC: 2-(4-benzhydrylpiperazin-1-yl)ethanol
英語名: 2-(4-benzhydrylpiperazin-1-yl)ethanol
分子式: C19H24N2O
分子量: 296.41

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.2
極性表面積: 26.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 22
形式電荷: 0
複雑度: 285

物理化学的性質

沸点: 180 °C · 180 °C(Press: 0.01 Torr)
比重(密度): 1.115 · 1.115±0.06 g/cm3(Predicted)
蒸気圧: 1.333 Pa · 1.333Pa at 180℃
酸解離定数(Pka): 14.96 · 14.96±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.