1,2,3,4-テトラヒドロ-2,2,4-トリメチルキノリン

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

HCID 107292

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4497-58-9
標準SMILES: CC1CC(C)(C)Nc2ccccc21
InChIKey: KSNRDYQOHXQKAB-UHFFFAOYSA-N
分子式: C12H17N
平均分子量: 175.27 g/mol
単同位体質量: 175.13609955

名称と識別子

優先名称: Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
IUPAC: 2,2,4-trimethyl-3,4-dihydro-1H-quinoline
現地名: 1,2,3,4-テトラヒドロ-2,2,4-トリメチルキノリン
英語名: 1,2,3,4-Tetrahydro-2,2,4-trimethylquinoline
分子式: C12H17N
分子量: 175.27

名称と別名

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

名称をさらに表示

2,2,4-トリメチル-1,2,3,4-テトラヒドロキノリン1,2,3,4-テトラヒドロ-2,2,4-トリメチルキノリン2,2,4-トリメチル-1,2,3,4-テトラヒドロキノリン HYDROCHLORIDEMFCD001930511,2,3,4-Tetrahydro-2,2,4-trimethylchinolinN-butyl-N-[2-(4-nitrophenyl)ethyl]-1-butanamine

SCHEMBL3045168ALBB-024958SBB012707STK789028AKOS000270107AKOS016039956SY029882WS-02110

データベース識別子

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

物性

構造計算による物性

XLogP: 3.2
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 186

物理化学的性質

融点: 36 · 36-40°C
沸点: 248.1 ℃[at · 248.1℃[at 101 325 Pa]
比重(密度): 0.953 · 0.953[at 20℃]
貯蔵温度: Refrigerator
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
色: オフホワイトからライトベージュ
EPAの化学物質情報: 1 · Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- (4497-58-9)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

法規制情報

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

安全データ

tsca: TSCA listed

化学と産業

用途と製造

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

応用分野 · 1 件

使用2,2,4-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.