3-氨基奎宁

3-Aminoquinuclidine

HCID 123238CAS 6238-14-8

子结构检索查找相似结构

基本信息

标准SMILES: NC1CN2CCC1CC2
InChIKey: REUAXQZIRFXQML-UHFFFAOYSA-N
分子式: C7H14N2
平均分子量: 126.2 g/mol
单同位素质量: 126.11569846

名称与标识

首选名称: 3-Aminoquinuclidine
IUPAC: 1-azabicyclo[2.2.2]octan-3-amine
中文名: 3-氨基奎宁
英文名: 3-Aminoquinuclidine
分子式: C7H14N2
分子量: 126.2

名称与别名

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

展开更多名称

3-喹宁环胺3-氨基奎宁奎宁环-3-胺3-氨基-1-氮杂双环[2.2.2]辛烷（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

数据库标识

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

性质

结构计算性质

XLogP: -0.1
极性表面积: 29.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 105

物理化学性质

熔点: 218 · 218-220 °C
沸点: 35 · 35-40 °C(Press: 0.3 Torr)
密度: 1.06 · 1.06±0.1 g/cm3(Predicted)
储存条件: 2 · 2-8°C
酸度系数(pKa): 10.58 · 10.58±0.33(Predicted)
NIST化学物质信息: 3 · 3-Amino-1-azabicyclo[2.2.2]octane(6238-14-8)

安全与法规

GHS分类

GHS Classification · 5 条

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.