피콜리닉산에틸에스테르

피콜리닉산에틸에스테르 · 에틸 피콜린산 · Ethyl picolite · ETHYL PICOLINATE · Ethyl pyridinate · Pyridine-2-A Ethyl · ETHYL 2-PICOLINATE · 2-ETHYL PICOLINATE

https://huagongshe.com/ko/chemical/17307

식별자 및 물리적 특성

CAS No.	2524-52-9
분자식	C8H9NO2
평균 분자량	151.16 g/mol
단동위원소 질량	151.06332853 g/mol
SMILES	CCOC(=O)c1ccccn1
InChIKey	FQYYIPZPELSLDK-UHFFFAOYSA-N
PubChem CID	17307
ChEMBL	CHEMBL2251607
EC No.	219-758-0
DTXSID	DTXSID9062489
현지명	피콜리닉산에틸에스테르

화학 및 물리적 성질

XLogP	0.9
극성 표면적	39.2
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	11
형식 전하	0
복잡도	136
SpringerMaterials Properties	Chemical shift
향료	Fragrance Ingredient (2-Pyridinecarboxylic acid, ethyl ester) -> IFRA transparency List
녹는점	2 °C (lit.)
끓는 점	240-241 °C (lit.)
밀도	1.119 g/mL at 25 °C (lit.)
굴절률	n20/D 1.511(lit.)
인화점	225 °F
저장 조건	Inert atmosphere,Room Temperature
용해도	클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태	액체
pKa(산도 계수)	1.83±0.10(Predicted)
색상	맑은 노란색 또는 분홍색
용해도	혼용 가능
BRN	122485
InChI	1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKey	FQYYIPZPELSLDK-UHFFFAOYSA-N
SMILES	CCOC(=O)c1ccccn1
LogP(분배 계수)	0.870
NIST	2-Pyridinecarboxylic acid, ethyl ester(2524-52-9)
EPA	Ethyl picolinate (2524-52-9)

화학적 성질

clear yellowish or pink liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 66.7% (90 of 135) of all reports.WarningH315 (29.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 2-Pyridinecarboxylic acid, ethyl ester2-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (29.6%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29333999
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
저장 분류	10 - Combustible liquids

용도

Ethyl picolinate can be used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.