反应SMILES:CC1CC(C)(C)Nc2ccccc21
HCID107292

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

2,2,4-trimethyl-3,4-dihydro-1H-quinoline

C12H17N175.27 g/molCAS 4497-58-9

IDENTITY

结构与身份

标准SMILES
CC1CC(C)(C)Nc2ccccc21
InChIKey
KSNRDYQOHXQKAB-UHFFFAOYSA-N
分子式
C12H17N
平均分子量
175.27 g/mol
单同位素质量
175.13609955

COMPUTED

结构计算性质

已同步
XLogP
3.2
极性表面积
12 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
13
形式电荷
0
复杂度
186

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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

Hazard Classes and Categories

Acute Tox. 4 (100%);Aquatic Chronic 3 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

USES

用途与制造

来源:PubChem
General Manufacturing Information

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

ALIASES

名称与别名

共 29 条
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-quinolineMFCD00957562SCHEMBL592819SCHEMBL3045168ALBB-024958SBB012707STK789028AKOS000270107AKOS016039956SY029882WS-02110

REACTIONS

参与反应

6
HRID358328

uspto-grants-1984_08

作为反应物
HRID 358328 方程式

uspto-grants-1984_08 · 10.6084/m9.figshare.5104873.v1 · US04466964

查看
HRID482646

uspto-grants-1986_03

作为反应物
HRID 482646 方程式

uspto-grants-1986_03 · 10.6084/m9.figshare.5104873.v1 · US04574124

查看
HRID1088437

uspto-grants-1990_10

作为反应物
HRID 1088437 方程式

uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962200

查看
HRID1462463

uspto-grants-1984_07

作为反应物
HRID 1462463 方程式

uspto-grants-1984_07 · 10.6084/m9.figshare.5104873.v1 · US04460607

查看
HRID1980498

uspto-grants-1985_04

作为反应物
HRID 1980498 方程式

uspto-grants-1985_04 · 10.6084/m9.figshare.5104873.v1 · US04510156

查看
HRID2145249

Training data from https://doi.org/10.1039/C8SC04228D (4/10)

作为反应物
HRID 2145249 方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

查看