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

HCID 10921141CAS 41337-81-9

기본 정보

표준 SMILES: CCOC(=O)c1cccc(CO)n1
InChIKey: CDFOARSBQKJGNL-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

이름 및 식별자

우선 이름: 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester
IUPAC: ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
영어명: 6-Hydroxymethyl-pyridine-2-carboxylic acid ethyl ester
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 172

물리화학적 성질

끓는 점: 337.1 · 337.1±32.0 °C(Predicted)
밀도: 1.2 · 1.200±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 13.02 · 13.02±0.10(Predicted)

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 3건

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.