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ethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

CAS number：41094-88-6    molecular formula：C16H24N4O2

overview
Specs
numbering system
physicochemical properties
Safety information
Production methods and uses
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MSDS
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overview

compound introduction

4-(丁氨基)-1-乙基-6-甲基-5-吡唑并[3,4-b]吡啶-3-甲酸乙酯是一种吡唑并吡啶。

Specs

Chinese alias-
English aliasTRACAZOLATE HYDROCHLORIDE; 4-(BUTYLAMINO)-1-ETHYL-6-METHYL 1H-PYRAZOLO[3,4B]PYRIDINE-5-ETHYLCARBOXYLATE HYDROCHLORIDE; TRACAZOLATE NON-BENZODIAZEPINE AN; TracazolateHCl; ICI-136753
CAS number41094-88-6molecular formulaC16H24N4O2
molecular weight304.39Exact mass-
PSA69logp3.5

numbering system

CAS41094-88-6
UNIINH0HPL3U1T
KEGG IDD06200
ChEBI ID92596
WikidataQ7831126
ChEMBL IDCHEMBL84567
WikipediaTracazolate
DrugBank IDDB20984
PubChem CID5522
Nikkaji NumberJ16.874B
NCI 词表代码C152706
Pharos Ligand IDX7QU3H69BT89
DSSTox Substance IDDTXSID3046956
European Community (EC) Number255-214-9
PubChem Reference Collection SID516579145
United States Adopted Name (USAN)TRACAZOLATE
International Nonproprietary Names (INN)TRACAZOLATE

physicochemical properties

XLogP3XLogP3-AA: 3.5
复杂性366
Exact Mass304.18992602
形式电荷0
重原子计数22
Molecular Weight304.39
Monoisotopic Mass304.18992602
可旋转键计数8
氢键供体计数1
氢键受体计数5
共价键单元计数1
同位素原子计数0
拓扑极性表面积69 Ų
定义键立体中心计数0
定义原子立体中心计数0
未定义键立体中心计数0
未定义原子手性中心计数0

Safety information

No safety information yet

Production methods and uses

purpose
工业应用参考：
工业分类参考：仪器仪表制造业。 应用场景参考：在环境监测、水资源分析、矿产检测、农残筛查和大气污染研究等方向具备潜在应用空间 。 作用参考：可作为基础工业材料参与合成、提纯或改性过程，为后续产品制造和工艺放大提供支撑 。 选型提示：涉及安全应用管理时，仍应以 MSDS、产品详情页和现场工艺控制要求为准，不应由参考文案替代 。

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