1-Phenylpiperazine 分子结构式
HCID7096

1-Phenylpiperazine

C10H14N2162.23 g/molCAS 4004-95-9

IDENTITY

结构与身份

标准SMILES
c1ccc(N2CCNCC2)cc1
InChIKey
YZTJYBJCZXZGCT-UHFFFAOYSA-N
分子式
C10H14N2
平均分子量
162.23 g/mol
单同位素质量
162.11569846

COMPUTED

结构计算性质

已同步
XLogP
1.1
极性表面积
15.3 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
12
形式电荷
0
复杂度
124

PROPERTIES

实验与物化性质

来源:PubChem
Dissociation Constants

9

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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 Categories

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

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

PHARMACOLOGY

药理信息

来源:PubChem
MeSH Pharmacological Classification

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).

USES

用途与制造

来源:PubChem
General Manufacturing Information

Piperazine, 1-phenyl-: INACTIVE

ALIASES

名称与别名

共 81 条
1-PHENYLPIPERAZINE92-54-6PhenylpiperazineDTXSID8057855J9225CBI7DDTXCID9031644RefChem:173105202-165-6N-PhenylpiperazinePiperazine, 1-phenyl-1-Phenyl-piperazineN-Phenyldiethylenediamine4-phenylpiperazinen-phenyl piperazineMFCD00005957CHEMBL94341-Fenylpiperazin1-Fenylpiperazin [Czech]N-phenylpiperazinCCRIS 4334

REACTIONS

参与反应

875
HRID 4009 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04723007

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HRID 4067 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04723003

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HRID 5718 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05245034

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HRID 5724 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05245034

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HRID 5727 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05245034

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HRID 8138 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087644B1

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HRID 8652 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091199B1

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HRID 8684 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091199B1

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