1,2,3,4-테트라히드로-2,2,4-트리메틸퀴놀린

Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-

HCID 107292

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4497-58-9
표준 SMILES: CC1CC(C)(C)Nc2ccccc21
InChIKey: KSNRDYQOHXQKAB-UHFFFAOYSA-N
분자식: C12H17N
평균 분자량: 175.27 g/mol
단동위원소 질량: 175.13609955

이름 및 식별자

우선 이름: Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
IUPAC: 2,2,4-trimethyl-3,4-dihydro-1H-quinoline
현지명: 1,2,3,4-테트라히드로-2,2,4-트리메틸퀴놀린
영어명: 1,2,3,4-Tetrahydro-2,2,4-trimethylquinoline
분자식: C12H17N
분자량: 175.27

이름 및 동의어

2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline4497-58-91,2,3,4-Tetrahydro-2,2,4-trimethylquinolineQuinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-EINECS 224-791-9DTXSID20884081RefChem:871978DTXCID70841528224-791-92,2,4-trimethyl-3,4-dihydro-1H-quinolineMFCD00957562SCHEMBL592819

이름 더 보기

1,2,3,4-테트라히드로-2,2,4-트리메틸퀴놀린MFCD001930511,2,3,4-Tetrahydro-2,2,4-trimethylchinolinN-butyl-N-[2-(4-nitrophenyl)ethyl]-1-butanamine

SCHEMBL3045168ALBB-024958SBB012707STK789028AKOS000270107AKOS016039956SY029882WS-02110

데이터베이스 식별자

CAS: 4497-58-9
PubChem CID: 107292
DTXSID: DTXSID20884081
EC Number: 224-791-9
Nikkaji: J205.868E

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 36 · 36-40°C
끓는 점: 248.1 ℃[at · 248.1℃[at 101 325 Pa]
밀도: 0.953 · 0.953[at 20℃]
저장 조건: Refrigerator
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 미색부터 밝은 베이지까지
EPA: 1 · Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- (4497-58-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

유해성 정보

Regulatory InformationStatus: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16879

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Aquatic Chronic 3 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16879

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-: ACTIVE

응용 분야 · 1건

용도2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline is a reagent in the synthesis of tetrahydroquinoline sensitizers used for dye-sensitized solar cells. 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline is also a reagent in the preparation of tetra- and pentacyclic derivatives of phenothiazinium photosensitizers which are used as photoantimicrobial agents.