6-(ヒドロキシメチル)ピリジン-2-カルボン酸エチル

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

HCID 10921141CAS 41337-81-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)c1cccc(CO)n1
InChIKey: CDFOARSBQKJGNL-UHFFFAOYSA-N
分子式: C9H11NO3
平均分子量: 181.19 g/mol
単同位体質量: 181.07389321

名称と識別子

優先名称: 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester
IUPAC: ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
現地名: 6-(ヒドロキシメチル)ピリジン-2-カルボン酸エチル
英語名: 6-Hydroxymethyl-pyridine-2-carboxylic acid ethyl ester
分子式: C9H11NO3
分子量: 181.19

名称と別名

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

名称をさらに表示

6-(ヒドロキシメチル)ピリジン-2-カルボン酸エチルEthyl 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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 59.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 172

物理化学的性質

沸点: 337.1 · 337.1±32.0 °C(Predicted)
比重(密度): 1.2 · 1.200±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 13.02 · 13.02±0.10(Predicted)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 3 件

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.