R-3-氨基奎宁环二盐酸盐

(R)-(+)-3-Aminoquinuclidine Dihydrochloride

HCID 12494972CAS 123536-14-1

子结构检索查找相似结构

基本信息

标准SMILES: Cl.Cl.N[C@H]1CN2CCC1CC2
InChIKey: STZHBULOYDCZET-KLXURFKVSA-N
分子式: C7H16Cl2N2
平均分子量: 199.12 g/mol
单同位素质量: 198.06905387

名称与标识

首选名称: (R)-(+)-3-Aminoquinuclidine Dihydrochloride
IUPAC: (3R)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
中文名: R-3-氨基奎宁环二盐酸盐
英文名: (R)-3-Aminoquinuclidine dihydrochloride
分子式: C7H16Cl2N2
分子量: 199.12

名称与别名

123536-14-1(R)-(+)-3-Aminoquinuclidine dihydrochlorideRefChem:406980602-940-2(R)-3-Aminoquinuclidine dihydrochloride(3R)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride(R)-quinuclidin-3-amine dihydrochlorideMFCD00191752(3R)-Quinuclidin-3-amine dihydrochloride(3r)-aminoquinuclidine dihydrochloride(R)-3-AMINOQUINUCLIDINE 2HCL1-Azabicyclo[2.2.2]octan-3-amine, hydrochloride (1:2), (3R)-

展开更多名称

帕洛诺司琼中间体F(R)-3-氨基喹宁R-3-奎宁环胺盐酸盐R-3-氨基奎宁环二盐酸盐(R)-3-氨基奎宁盐酸盐(R)-(+)-3-氨基奎宁(3R)-氨基奎宁环二盐酸盐R-(+)-3-氨基奎宁.二盐酸盐(R)-(+)-3-氨基喹宁二盐酸盐(R)-(-)-3-氨基奎宁环盐酸盐(R)-(+)-3-AMINOQUINUCLID(R)-(+)-3-AMINOQUINUCLIDINE(R)-3-AMinoquinuclidine d...Palonosetron interMediater FPalonosetron Impurity 10 DiHCl(R)-(+)-3-Aminoquinuclidine2HCl(R)-(+)-3-Aminoquinuclidine diHCl(R) 3-AMINOQUINUCLIDINE HYDROCHLORIDE(R)-quinuclidin-3-amine dihyrochloride

(r)-1-aza-bicyclo[2.2.2]oct-3-ylamine dihydrochloride(R)-(+)-3-AMINOQUINUCLIDINE 2HCL(3R)-3-AMINOQUINUCLIDINE DIHYDROCHLORIDE(R)-(+)-3-Amino-1-azabicyclo[2.2.2]octane Dihydrochloride(3R)-1-azabicyclo[2.2.2]octan-3-amine hydrochloride(3S)-QUINUCLIDIN-3-AMINE DIHYDROCHLORIDE1-Azabicyclo[2.2.2]octan-3-amine, dihydrochloride, (3R)-SCHEMBL260467

数据库标识

CAS: 123536-14-1、137661-31-5
PubChem CID: 12494972
DTXSID: DTXSID801383629
EC Number: 154-383-5、602-940-2

性质

结构计算性质

极性表面积: 29.3 Å²
氢键供体: 3
氢键受体: 2
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 105

物理化学性质

熔点: 300 °C · >300 °C(lit.)
比旋光度: 24 · 24 º (c=1, H2O)
储存条件: Inert atmosphere,Room Temperature
溶解度: DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
形态: Powder
颜色: White to beige
稳定性: Hygroscopic
InChI: InChI=1/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
InChIKey: STZHBULOYDCZET-UHFFFAOYNA-N
SMILES: [C@@]12([H])CCN(CC1)CC2N.Cl.Cl |&1:0,r|
CAS 数据库: 123536 · 123536-14-1(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 6 条

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

危害信息

Hazard Classes and Categories · 2 条

Skin Irrit. 2 (97.6%)

Skin Irrit. 2 (100%)

安全数据

wgk: 3
存储类别: 11 - Combustible Solids
安全说明: 26-38-36-S36-S26
海关编码: 29333990
危险品标志: Xi
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38-R36/37/38

化学与工业

上下游产品信息

上游原料

叔丁醇钾三水合醋酸钠甲苯碳酸钾硼氢化钠钯碳 S(-)-α-苯乙胺溴乙酸乙酯四氢呋喃磺酰氯 4-哌啶甲酸乙酯盐酸

下游产品

S-3-氨基奎宁环胺盐酸盐

试剂价格

A2830 · 1g: (R)-(+)-3-氨基奎宁环二盐酸盐(R)-(+)-3-Aminoquinuclidine Dihydrochloride — 110元
A2830 · 5g: (R)-(+)-3-氨基奎宁环二盐酸盐(R)-(+)-3-Aminoquinuclidine Dihydrochloride — 520元