1-(2,6-ジエチルフェニル)-1H-ピロール-2,5-ジオン

1-(2,6-diethylphenyl)-1H-pyrrole-2,5-dione

HCID 300890

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 38167-72-5
標準SMILES: CCc1cccc(CC)c1N1C(=O)C=CC1=O
InChIKey: LNOKVKHZEYOLIQ-UHFFFAOYSA-N
分子式: C14H15NO2
平均分子量: 229.27 g/mol
単同位体質量: 229.11027872

名称と識別子

優先名称: 1-(2,6-diethylphenyl)-1H-pyrrole-2,5-dione
IUPAC: 1-(2,6-diethylphenyl)pyrrole-2,5-dione
現地名: 1-(2,6-ジエチルフェニル)-1H-ピロール-2,5-ジオン
英語名: N-(2,6-DIETHYLPHENYL)MALEIMIDE
分子式: C14H15NO2
分子量: 229.27

名称と別名

38167-72-51-(2,6-diethylphenyl)-1H-pyrrole-2,5-dioneN-(2,6-DIETHYLPHENYL)MALEIMIDE1-(2,6-diethylphenyl)pyrrole-2,5-dione1-(2,6-diethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneMFCD001738261-(2,6-diethylphenyl)azoline-2,5-dioneBUTTPARK 97\08-57NSC176372Cyto10H11Maybridge1_007020SCHEMBL331144

名称をさらに表示

1-(2,6-ジエチルフェニル)-1H-ピロール-2,5-ジオンN-(2,6-ジエチルフェニル)マレインイミドN-(2,6-ジエチルフェニル)マレイミド1-(2,6-ジエチルフェニル)-2,5-ジヒドロ-1H-ピロール-2,5-ジオン1-(2,6-DIETHYL-PHENYL)-PYRROLE-2,5-DIONE1H-Pyrrole-2,5-dione, 1-(2,6-diethylphenyl)-

CHEMBL4546302SCHEMBL27737424HMS561H02DTXSID80306436AKOS B000966ART-CHEM-BB B000966SBB028622STK301769

データベース識別子

CAS: 38167-72-5
PubChem CID: 300890
DTXSID: DTXSID80306436
ChEMBL: CHEMBL4546302
EC Number: 670-405-0
Nikkaji: J135.006D

物性

構造計算による物性

XLogP: 2.6
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 17
形式電荷: 0
複雑度: 318

物理化学的性質

沸点: 354.2 · 354.2±31.0 °C(Predicted)
比重(密度): 1.17 · 1.170±0.06 g/cm3(Predicted)
酸解離定数(Pka): 0.39 · 0.39±0.20(Predicted)
CAS データベース: 38167 · 38167-72-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.

安全データ

risk_code: 36/37/38
化審法: 新規公示化学物質（2011年3月31日以前届出）
safety_code: 26-36/37/39

化学と産業

サプライヤー37 社

陕西科贝莱药物研发有限公司13119135307 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

化合物ノート

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