3-胺基-(吡咯烷-1-基)吡啶

6-(Pyrrolidin-1-yl)pyridin-3-amine

HCID 3899172CAS 92808-19-0

子结构检索查找相似结构

基本信息

标准SMILES: Nc1ccc(N2CCCC2)nc1
InChIKey: PURAXXHYQSQHAA-UHFFFAOYSA-N
分子式: C9H13N3
平均分子量: 163.22 g/mol
单同位素质量: 163.11094742

名称与标识

首选名称: 6-(Pyrrolidin-1-yl)pyridin-3-amine
IUPAC: 6-pyrrolidin-1-ylpyridin-3-amine
中文名: 3-胺基-(吡咯烷-1-基)吡啶
英文名: 6-(1-PYRROLIDINYL)-3-PYRIDINAMINE
分子式: C9H13N3
分子量: 163.22

名称与别名

6-(pyrrolidin-1-yl)pyridin-3-amineRefChem:539889838-996-192808-19-06-pyrrolidin-1-ylpyridin-3-amine6-(1-Pyrrolidinyl)-3-pyridinamineMFCD034257456-PYRROLIDIN-1-YL-PYRIDIN-3-YLAMINE3-Amino-6-(1-pyrrolidinyl)pyridine3-amino-6-(pyrrolidin-1-yl)pyridine6-pyrrolidinyl-3-pyridylamineOprea1_054419

展开更多名称

3-胺基-(吡咯烷-1-基)吡啶3-氨基-6-(1-吡咯烷基)吡啶6-(吡咯烷-1-基)吡啶-3-胺AKOS B034243OTAVA-BB CHUBUKBB16313-AMINO-6-(PYRROLIDINO)PYRIDINE3-Pyridinamine, 6-(1-pyrrolidinyl)-5-Amino-2-(pyrrolidin-1-yl)pyridine

SCHEMBL241019SCHEMBL27907342SCHEMBL29377723DTXSID20397843PURAXXHYQSQHAA-UHFFFAOYSA-NSDA80819SBB025707STK352643

数据库标识

CAS: 92808-19-0
PubChem CID: 3899172
DTXSID: DTXSID20397843
EC Number: 838-996-1

性质

结构计算性质

XLogP: 1.1
极性表面积: 42.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 143

物理化学性质

沸点: 375.4 · 375.4±27.0 °C(Predicted)
密度: 1.17 · 1.170±0.06 g/cm3(Predicted)
储存条件: Keep in dark place,Inert atmosphere,Room temperature
酸度系数(pKa): 7.99 · 7.99±0.29(Predicted)
外观: Brown to black Solid

安全与法规

GHS分类

GHS Classification · 4 条

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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.