1-ベンズヒドリルピペラジン

Benzhydrylpiperazine

HCID 70048CAS 841-77-0

基本情報

標準SMILES
c1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIKey
NWVNXDKZIQLBNM-UHFFFAOYSA-N
分子式
C17H20N2
平均分子量
252.35 g/mol
単同位体質量
252.16264865

名称と識別子

優先名称
Benzhydrylpiperazine
IUPAC
1-benzhydrylpiperazine
現地名
1-ベンズヒドリルピペラジン
英語名
1-Benzhydrylpiperazine
分子式
C17H20N2
分子量
252.35

名称と別名

1-Benzhydrylpiperazine841-77-01-(Diphenylmethyl)piperazineBenzhydrylpiperazineNorcyclizine4-BenzhydrylpiperazineN-(Diphenylmethyl)piperazinePiperazine, 1-(diphenylmethyl)-NU6V5ZHD9PNSC-35536DTXSID80232968RefChem:166584
名称をさらに表示
ノルシクリジン1-ベンズヒドリルピペラジン1-ジフェニルメチルピペラジン1-(ジフェニルメチル)ピペラジン1-ベンズヒドロリルピペラジン1‐(ジフェニルメチル)ピペラジンNSC 35536AKOS NCG1-0108AKOS BBS-00003601TIMTEC-BB SBB003136Benzhydrol piperzineLABOTEST-BB LT00454383
DTXCID10155459212-667-7Diphenylmethylpiperazine1-Benzhydryl-piperazineN-BenzhydrylpiperazineNormethylcyclizineCinnarizine EP Impurity AMFCD00038379

データベース識別子

CAS
841-77-0
PubChem CID
70048
DTXSID
DTXSID80232968
ChEMBL
CHEMBL1490469
UNII
NU6V5ZHD9P
EC Number
212-667-7
Nikkaji
J29.024F

物性

構造計算による物性

XLogP
2.8
極性表面積
15.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
3
重原子数
19

実験および物理化学的性質

Solubility25 [ug/mL] (The mean of the results at pH 7.4)
Kovats Retention Index2219

物理化学的性質

融点
90 · 90-93 °C
沸点
185 °C/2mmHg · 185°C/2mmHg(lit.)
比重(密度)
1.0546 · 1.0546 (rough estimate)
蒸気圧
0.001 Pa · 0.001Pa at 20℃
屈折率
1.5794 · 1.5794 (estimate)
闪点
115 °C · 115 °C

化学的性質

化学的特性white to light yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (13.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (11.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (11.5%): 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)

Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 52 reports by companies.;There are 9 notifications provided by 51 of 52 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24243
Hazard Classes and CategoriesAcute Tox. 4 (92.3%);Skin Irrit. 2 (13.5%);Eye Irrit. 2A (13.5%);Acute Tox. 4 (11.5%);STOT SE 3 (11.5%)

法規制情報

Regulatory InformationStatus: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24243

安全データ

F
34
wgk
3
rtecs
TL6465000
hs_code
29339900
risk_code
22
hazard_code
Xn,Xi

化学と産業

薬理情報

Metabolism/Metabolites1-Benzhydrylpiperazine is a known human metabolite of cinnarizine.
応用分野 · 3 件

用途有機合成原料。

使用1-Benzhydrylpiperazine is an intermediate used in drug synthesis

一般的な説明1-(Diphenylmethyl)piperazine is an intermediate during drug synthesis. It has been reported to be formed during the oxidative metabolism of cinnarizine (CZ) [1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-piperazine] in rat liver microsomes. It reacts with quinone in acetonitrile, followed by oxidation with an alkaline potassium ferricyanide, to afford 4-amino-3,6-di(tert-butyl)-o-benzoquinones.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

関連反応

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