キヌクリジン-3-アミン

3-Aminoquinuclidine

HCID 123238CAS 6238-14-8

部分構造検索類似構造を探す

基本情報

標準SMILES: NC1CN2CCC1CC2
InChIKey: REUAXQZIRFXQML-UHFFFAOYSA-N
分子式: C7H14N2
平均分子量: 126.2 g/mol
単同位体質量: 126.11569846

名称と識別子

優先名称: 3-Aminoquinuclidine
IUPAC: 1-azabicyclo[2.2.2]octan-3-amine
現地名: キヌクリジン-3-アミン
英語名: 3-Aminoquinuclidine
分子式: C7H14N2
分子量: 126.2

名称と別名

3-Aminoquinuclidine6238-14-8RefChem:93007quinuclidin-3-amine1-azabicyclo[2.2.2]octan-3-amine1-aza-bicyclo[2.2.2]oct-3-ylamine3-Amino-1-azabicyclo[2.2.2]octane(1s,4s)-quinuclidin-3-amine1-Azabicyclo[2.2.2]oct-3-ylaminequinuclidine-3-ylamine781591-76-21-Azabicyclo(2.2.2)octan-3-amine

名称をさらに表示

3-アミノ-1-アザビシクロ[2.2.2]オクタンキヌクリジン-3-アミン1-アザビシクロ[2.2.2]オクタン-3-アミン3-アミノキヌクリジン（R）-1-Azabicyuclo[2.2.2] Octan-3-Amino

(S)-1-Aza-bicyclo[2.2.2]oct-3-ylamine(3S)-Aminoquinuclidine-D1Dihydrochloride3-amino quinuclidine3-amino-quinuclidineSCHEMBL260640SCHEMBL333973SCHEMBL1886047SCHEMBL9431600

データベース識別子

CAS: 6238-14-8
PubChem CID: 123238
DTXSID: DTXSID10869640
EC Number: 813-787-8
Nikkaji: J365.207F

物性

構造計算による物性

XLogP: -0.1
極性表面積: 29.3 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: 0
重原子数: 9
形式電荷: 0
複雑度: 105

物理化学的性質

融点: 218 · 218-220 °C
沸点: 35 · 35-40 °C(Press: 0.3 Torr)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.58 · 10.58±0.33(Predicted)
NISTの化学物質情報: 3 · 3-Amino-1-azabicyclo[2.2.2]octane(6238-14-8)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 1 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.