1-フェニルピペラジン

1-Phenylpiperazine

HCID 7096CAS 4004-95-9

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(N2CCNCC2)cc1
InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-N
分子式: C10H14N2
平均分子量: 162.23 g/mol
単同位体質量: 162.11569846

名称と識別子

優先名称: 1-Phenylpiperazine
IUPAC: 1-phenylpiperazine
現地名: 1-フェニルピペラジン・2塩酸塩
英語名: 1-Phenylpiperazine dihydrochloride
分子式: C10H16Cl2N2
分子量: 235.15

名称と別名

1-PHENYLPIPERAZINE92-54-6PhenylpiperazineDTXSID8057855J9225CBI7DDTXCID9031644RefChem:173105202-165-6N-PhenylpiperazinePiperazine, 1-phenyl-1-Phenyl-piperazineN-Phenyldiethylenediamine

名称をさらに表示

1-フェニルピペラジン・2塩酸塩Nsc1508471-Phenylpiperazine2HCl1-Phenylpiperazine hHdrochloridePhenylpiperazine (hydrochloride)1-Phenylpiperazine dihydrochlorideN-Phenylpiperazine Dihydrochloride4-Phenylpiperazine Dihydrochloride1-PHENYLPIPERAZINE DIHYDROCHLORIDE 98%Piperazine, 1-phenyl-, dihydrochloride

4-phenylpiperazinen-phenyl piperazineMFCD00005957CHEMBL94341-Fenylpiperazin1-Fenylpiperazin [Czech]N-phenylpiperazinCCRIS 4334

データベース識別子

CAS: 4004-95-9、92-54-6
PubChem CID: 7096
DTXSID: DTXSID8057855
ChEMBL: CHEMBL9434
UNII: J9225CBI7D
EC Number: 202-165-6
Nikkaji: J35.451A

物性

構造計算による物性

XLogP: 1.1
極性表面積: 15.3 Å²
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: 1
重原子数: 12
形式電荷: 0
複雑度: 124

実験および物理化学的性質

Dissociation Constants9

物理化学的性質

融点: 221 · 221-223°C
貯蔵温度: Hygroscopic, Refrigerator, Under Inert Atmosphere
溶解性: DMSO（微量）、メタノール（微量）、水（微量）
外見: 個体
色: ホワイトからオフホワイト
安定性: 吸湿性

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (96.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H310 (36.9%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H311 (61.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Information · 3 件

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21606

Piperazine, 1-phenyl-, dihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Phenylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (96.9%)；Acute Tox. 2 (36.9%)；Acute Tox. 3 (61.5%)；Skin Corr. 1B (98.5%)

法規制情報

Regulatory Information · 3 件

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21606

Phenylpiperazine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents).