6-羟甲基吡啶-2-甲酸乙酯

2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester

HCID 10921141CAS 41337-81-9

子结构检索查找相似结构

基本信息

标准SMILES: CCOC(=O)c1cccc(CO)n1
InChIKey: CDFOARSBQKJGNL-UHFFFAOYSA-N
分子式: C9H11NO3
平均分子量: 181.19 g/mol
单同位素质量: 181.07389321

名称与标识

首选名称: 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester
IUPAC: ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
中文名: 6-羟甲基吡啶-2-甲酸乙酯
英文名: 6-Hydroxymethyl-pyridine-2-carboxylic acid ethyl ester
分子式: C9H11NO3
分子量: 181.19

名称与别名

Ethyl 6-(hydroxymethyl)picolinate2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl esterRefChem:483398609-909-2691-859-641337-81-9Ethyl 6-(hydroxymethyl)pyridine-2-carboxylateMFCD097500096-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTERethyl 6-(hydroxymethyl)-2-pyridinecarboxylateSCHEMBL536661DTXSID00448367

展开更多名称

6-(羟甲基)吡啶甲酸乙酯2-甲醇-6-羧酸乙酯吡啶乙基 6-(羟甲基)甲基吡啶酯6-(羟甲基)吡啶-2-羧酸乙酯6-(羟基甲基)吡啶-2-羧酸乙酯6-羟甲基吡啶-2-甲酸乙酯 10GE826090,Ethyl 6-(hydroxymethyl)pyridine-2-carboxylate,41337-81-9Ethyl 6-(hydroxymethyl)2-HYDROXYMETHYLPYRIDINE-6-CARBOXYLIC ACID EHTYL ESTER6-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER ISO 9001：2015 REACH

CDFOARSBQKJGNL-UHFFFAOYSA-NSBB053815AKOS006326901SB53370SY065630TS-00205DB-070179ethyl 6-hydroxymethylpyridine-2-carboxylate

数据库标识

CAS: 41337-81-9
PubChem CID: 10921141
DTXSID: DTXSID00448367
EC Number: 609-909-2、691-859-6

性质

结构计算性质

XLogP: 0.6
极性表面积: 59.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 13
形式电荷: 0
复杂度: 172

物理化学性质

沸点: 337.1 · 337.1±32.0 °C(Predicted)
密度: 1.2 · 1.200±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
酸度系数(pKa): 13.02 · 13.02±0.10(Predicted)
外观: White to off-white Solid

安全与法规

GHS分类

GHS Classification · 3 条

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.；There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).；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.