6-에톡시-1,2,3,4-테트라히드로-2,2,4-트리메틸퀴놀린

6-에톡시-1,2,3,4-테트라히드로-2,2,4-트리메틸퀴놀린 · Einecs 240-546-9 · Ethoxyquin-3,4-dihydro · 6-ethoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline · 2,2,4-Trimethyl-6-ethoxy-1,2,3,4-tetrahydroquinoline · 1,2,3,4-Tetrahydro-2,2,4-trimethyl-6-ethoxyquinoline · 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline · 6-Ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline,97%

https://huagongshe.com/ko/chemical/86013

6-에톡시-1,2,3,4-테트라히드로-2,2,4-트리메틸퀴놀린 분자 구조식

식별자 및 물리적 특성

CAS No.	16489-90-0
분자식	C14H21NO
평균 분자량	219.32 g/mol
단동위원소 질량	219.16231429 g/mol
SMILES	CCOc1ccc2c(c1)C(C)CC(C)(C)N2
InChIKey	YLDDCEXDGNXCIO-UHFFFAOYSA-N
PubChem CID	86013
ChEMBL	CHEMBL176666
EC No.	240-546-9
DTXSID	DTXSID6042365
현지명	6-에톡시-1,2,3,4-테트라히드로-2,2,4-트리메틸퀴놀린

화학 및 물리적 성질

XLogP	3.6
극성 표면적	21.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	16
형식 전하	0
복잡도	239
녹는점	38-39 °C(Solv: hexane (110-54-3))
끓는 점	122 °C(Press: 2 Torr)
밀도	0.948±0.06 g/cm3(Predicted)
pKa(산도 계수)	6.16±0.60(Predicted)
EPA	Quinoline, 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethyl- (16489-90-0)

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
위험 등급	IRRITANT