Ethyl 6-methylpyridine-2-carboxylate

HCID 564597CAS 39640-51-2

기본 정보

표준 SMILES: CCOC(=O)c1cccc(C)n1
InChIKey: FMSXHQBTRLUYHP-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: Ethyl 6-methylpyridine-2-carboxylate
IUPAC: ethyl 6-methylpyridine-2-carboxylate
영어명: 6-methyl-pyridine-2-carboxylic acid ethyl ester
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

Ethyl 6-methylpyridine-2-carboxylate39640-51-2DTXSID30340421RefChem:138849DTXCID502915022-Pyridinecarboxylic acid, 6-methyl-, ethyl ester609-732-0FMSXHQBTRLUYHP-UHFFFAOYSA-Nethyl 6-methylpicolinate6-Methylpyridine-2-carboxylic acid ethyl esterMFCD034271286-Methyl-pyridine-2-carboxylic acid ethyl ester

이름 더 보기

104455Ethyl 6-methylpyridine-2-carboxylate 97%ETHYL 6-METHYL-2-PYRIDINECARBOXYLATE 9&6-Methyl-ALPHA-picolinic acid ethyl ester6-Methylpyridin-2-carboxylic acid ethyl ester6-methyl-2-pyridinecarboxylic acidethyl ester

AKOS0051571096-Methylpyridine-2-carboxylicacidethylesterCS-0327462ethyl-6-methylpyridinecarboxylateethyl 64-(CYANOMETHYL)PHENYL2-CHLORONICOTINATESCHEMBL109583SCHEMBL128986

데이터베이스 식별자

CAS: 39640-51-2
PubChem CID: 564597
DTXSID: DTXSID30340421
EC Number: 609-732-0
Nikkaji: J1.413.267H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 122 · 122-126 °C/10 mmHg(lit.)
밀도: 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5090(lit.)
산도 계수 (pKa): 2.06 · 2.06±0.10(Predicted)
InChI: 1S/C9H11NO2/c1-3-12-9(11)8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3
InChIKey: FMSXHQBTRLUYHP-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cccc(C)n1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.