HCID23499845

4-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetonitrile

2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanenitrile

C14H15NO213.27 g/molCAS 169280-06-2

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IDENTITY

结构与身份

标准SMILES: CC(C)(C#N)c1ccc(C(=O)C2CC2)cc1
InChIKey: OEGDIOHJCJQYBA-UHFFFAOYSA-N
分子式: C14H15NO
平均分子量: 213.27 g/mol
单同位素质量: 213.1153641

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 40.9 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 324

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 1 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: 10-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21530

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: 10-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21530

ALIASES

名称与别名

共 12 条

169280-06-2RefChem:2887724-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetonitrile2-(4-(Cyclopropanecarbonyl)phenyl)-2-methylpropanenitrile2-(4-cyclopropanecarbonyl-phenyl)-2-methylpropionitrile2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanenitrileSCHEMBL3673731OEGDIOHJCJQYBA-UHFFFAOYSA-NDTXSID3012051852-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionitrile4-(Cyclopropylcarbonyl)-alpha,alpha-Dimethylphenylacetonitrile4-(Cyclopropylcarbonyl)-I+/-,I+/--dimethylbenzeneacetonitrile

REACTIONS