1-(3-吡咯烷丙基)哌嗪

1-(3-Pyrrolidinopropyl)Piperazine

HCID 2737252CAS 224309-80-2

子结构检索查找相似结构

基本信息

标准SMILES: C1CCN(CCCN2CCNCC2)C1
InChIKey: JAXVYOQQRAMPQD-UHFFFAOYSA-N
分子式: C11H23N3
平均分子量: 197.32 g/mol
单同位素质量: 197.18919775

名称与标识

首选名称: 1-(3-Pyrrolidinopropyl)Piperazine
IUPAC: 1-(3-pyrrolidin-1-ylpropyl)piperazine
中文名: 1-(3-吡咯烷丙基)哌嗪
英文名: 1-[3-(1-Pyrrolidino)propyl]piperazine
分子式: C11H23N3
分子量: 197.32

名称与别名

224309-80-21-(3-Pyrrolidinopropyl)PiperazineDTXSID20371946RefChem:224610DTXCID803229791-(3-(pyrrolidin-1-yl)propyl)piperazine1-(3-pyrrolidin-1-ylpropyl)piperazine1-[3-(pyrrolidin-1-yl)propyl]piperazine1-[3-(1-pyrrolidino)propyl]piperazineMFCD013208951-(3-pyrrolidinopropyl)-piperazine1-[3-(1-pyrrolidinyl)propyl]piperazine

展开更多名称

1-[3-(1-吡咯烷)丙基]哌嗪1-(3-(吡咯烷-1-基)丙基)哌嗪Piperazine, 1-[3-(1-pyrrolidinyl)propyl]-1-[3-(Pyrrolidin-1-yl)prop-1-yl]piperazine97%1-[3-(Pyrrolidin-1-yl)prop-1-yl]piperazine 97%

1-[3-(Pyrrolidin-1-yl)prop-1-yl]piperazineSCHEMBL42822SCHEMBL1934187JAXVYOQQRAMPQD-UHFFFAOYSA-NAKOS009158646PS-58331-(3-pyrrolidin-1-yl-propyl)-piperazineBP-11363

数据库标识

CAS: 224309-80-2
PubChem CID: 2737252
DTXSID: DTXSID20371946
EC Number: 671-054-6

性质

结构计算性质

XLogP: 0.5
极性表面积: 18.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 14
形式电荷: 0
复杂度: 149

物理化学性质

沸点: 106 · 106-108
密度: 0.969 · 0.969±0.06 g/cm3(Predicted)
酸度系数(pKa): 10.39 · 10.39±0.20(Predicted)

安全与法规

GHS分类

GHS Classification · 5 条

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P305+P354+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 2 reports by companies from 2 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.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)