CAS 240401-22-3 4-Piperidinecarbonitrile hydrochloride (HCID 22744637)

基本情報

CAS: 240401-22-3
標準SMILES: Cl.N#CC1CCNCC1
InChIKey: PKMPMUHWHIIFBJ-UHFFFAOYSA-N
分子式: C6H11ClN2
平均分子量: 146.62 g/mol
単同位体質量: 146.06107603

名称と識別子

優先名称: 4-Piperidinecarbonitrile hydrochloride
IUPAC: piperidine-4-carbonitrile;hydrochloride
現地名: 4‐シアノピペリジン塩酸塩
英語名: 4-CYANOPIPERIDINE HCL
分子式: C6H11ClN2
分子量: 146.62

名称と別名

4-piperidinecarbonitrile hydrochlorideRefChem:526494681-056-9piperidine-4-carbonitrile hydrochloride240401-22-34-cyanopiperidine HCl4-CYANOPIPERIDINE HYDROCHLORIDEMFCD09037930piperidine-4-carbonitrile;hydrochloride4-Piperidinecarbonitrile, monohydrochloride4-Cyanopiperidine (hydrochloride)4-Cyano-piperidine hydrochloride

名称をさらに表示

4‐シアノピペリジン塩酸塩4-シアノピペリジン塩酸塩8. 4-Cyanopiperidine hydrochloride-4-CYANOPIPERIDINE HCL 240401-22-34-Piperidinecarbonitrile hydrochloride(1:1)

piperidine-4-carbonitrile,hydrochloride4-cyanopiperidinium chlorideM7HMB74PLSSCHEMBL1513767DTXSID30628014PKMPMUHWHIIFBJ-UHFFFAOYSA-N4-cyanopiperidine hydrochloride saltpiperidine-4-carbonitrilehydrochloride

データベース識別子

CAS: 240401-22-3
PubChem CID: 22744637
DTXSID: DTXSID30628014
UNII: M7HMB74PLS
EC Number: 681-056-9

物性

構造計算による物性

極性表面積: 35.8 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 105

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature
InChI: InChI=1S/C6H10N2.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-4H2;1H
InChIKey: PKMPMUHWHIIFBJ-UHFFFAOYSA-N
SMILES: C(C1CCNCC1)#N.Cl
CAS データベース: 240401 · 240401-22-3

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.