HCID64796

Hydrocarbostyril

3,4-dihydro-1H-quinolin-2-one

C9H9NO147.17 g/molCAS 553-03-7

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IDENTITY

结构与身份

标准 SMILES: O=C1CCc2ccccc2N1
InChIKey: TZOYXRMEFDYWDQ-UHFFFAOYSA-N
分子式: C9H9NO
平均分子量: 147.17 g/mol
单同位素质量: 147.06841391

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 29.1 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 167

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

15.9 [ug/mL] (The mean of the results at pH 7.4)

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (97.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 7 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.

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (98.6%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (97.2%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Not Classified

ALIASES

名称与别名

共 95 条

553-03-73,4-Dihydro-2(1H)-quinolinone3,4-Dihydroquinolin-2(1H)-oneHydrocarbostyril3,4-Dihydrocarbostyril3,4-Dihydro-2-quinolinolo-Aminohydrocinnamic acid lactam2-Oxo-1,2,3,4-tetrahydroquinoline2CKG6TX32FNSC-49170DTXSID40203816RefChem:788994DTXCID70126307621-863-5942-197-41,2,3,4-tetrahydroquinolin-2-one3,4-dihydro-1H-quinolin-2-one2(1H)-Quinolinone, 3,4-dihydro-Dihydro-quinolinoneMFCD00016722

REACTIONS

参与反应

112 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID6812

uspto-grants-2006_08

作为反应物

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084156B2

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HRID44172

uspto-grants-2013_09

作为反应物

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541404B2

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HRID100972

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID121964

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID149136

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID176447

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID188323

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID196090

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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