1-(3-ピロリジノプロピル)ピペラジン

1-(3-Pyrrolidinopropyl)Piperazine

HCID 2737252CAS 224309-80-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C1CCN(CCCN2CCNCC2)C1
InChIKey: JAXVYOQQRAMPQD-UHFFFAOYSA-N
分子式: C11H23N3
平均分子量: 197.32 g/mol
単同位体質量: 197.18919775

名称と識別子

優先名称: 1-(3-Pyrrolidinopropyl)Piperazine
IUPAC: 1-(3-pyrrolidin-1-ylpropyl)piperazine
現地名: 1-(3-ピロリジノプロピル)ピペラジン
英語名: 1-[3-(1-Pyrrolidino)propyl]piperazine
分子式: C11H23N3
分子量: 197.32

名称と別名

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

名称をさらに表示

1-(3-ピロリジノプロピル)ピペラジン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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.5
極性表面積: 18.5 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: 4
重原子数: 14
形式電荷: 0
複雑度: 149

物理化学的性質

沸点: 106 · 106-108
比重(密度): 0.969 · 0.969±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.39 · 10.39±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)