4-[2-(1-ピロリジニル)エチル]ピペリジンDIHYDROCHLORIDE

4-[2-(Pyrrolidin-1-yl)ethyl]piperidine

HCID 296293CAS 14759-08-1

部分構造検索類似構造を探す

基本情報

標準SMILES: C1CCN(CCC2CCNCC2)C1
InChIKey: LLCRHLSCWWMNEC-UHFFFAOYSA-N
分子式: C11H22N2
平均分子量: 182.31 g/mol
単同位体質量: 182.1782987

名称と識別子

優先名称: 4-[2-(Pyrrolidin-1-yl)ethyl]piperidine
IUPAC: 4-(2-pyrrolidin-1-ylethyl)piperidine
現地名: 4-[2-(1-ピロリジニル)エチル]ピペリジンDIHYDROCHLORIDE
英語名: 4-(2-PYRROLIDINOETHYL)PIPERIDINE
分子式: C11H22N2
分子量: 182.31

名称と別名

4-[2-(pyrrolidin-1-yl)ethyl]piperidine4-(2-(Pyrrolidin-1-yl)ethyl)piperidineDTXSID90304569RefChem:517260DTXCID10255701604-590-614759-08-14-(2-PYRROLIDINOETHYL)PIPERIDINE4-(2-pyrrolidin-1-ylethyl)piperidinePiperidine, 4-[2-(1-pyrrolidinyl)ethyl]-MFCD030929394-(2-Pyrrolidin-1-yl-ethyl)-piperidine

名称をさらに表示

4-[2-(1-ピロリジニル)エチル]ピペリジンDIHYDROCHLORIDE1-[2-(Piperidin-4-yl)ethyl]pyrrolidine4-[2-(Pyrrolidin-1-yl)ethyl]piperidine98%4-[2-(Pyrrolidin-1-yl)ethyl]piperidine 98%

4-[2-(1-pyrrolidinyl)ethyl]piperidine4-(2-pyrrolidinylethyl)piperidineNSC166304SCHEMBL640737SCHEMBL2172470LLCRHLSCWWMNEC-UHFFFAOYSA-NALBB-021375SBB073146

データベース識別子

CAS: 14759-08-1
PubChem CID: 296293
DTXSID: DTXSID90304569
EC Number: 604-590-6

物性

構造計算による物性

XLogP: 1.4
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: 3
重原子数: 13
形式電荷: 0
複雑度: 135

物理化学的性質

沸点: 253 ℃ · 253℃
比重(密度): 0.93 · 0.930
闪点: 90 ℃ · 90℃
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.63 · 10.63±0.10(Predicted)
外見: solid
色: Yellow to beige
InChI: 1S/C11H22N2/c1-2-9-13(8-1)10-5-11-3-6-12-7-4-11/h11-12H,1-10H2
InChIKey: LLCRHLSCWWMNEC-UHFFFAOYSA-N
SMILES: C1CCN(C1)CCC2CCNCC2

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.