1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

HCID 2392392CAS 140481-07-8

基本情報

標準SMILES: COc1ccc(CCN2C(=O)C=CC2=O)cc1
InChIKey: AXKRZHUMKQPDBD-UHFFFAOYSA-N
分子式: C13H13NO3
平均分子量: 231.25 g/mol

名称と識別子

優先名称: 1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC: 1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione

名称と別名

1-[2-(4-methoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione140481-07-81-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dioneRefChem:421138982-968-21-[2-(4-Methoxy-phenyl)-ethyl]-pyrrole-2,5-dione1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dioneN-(p-Methoxyphenethyl)maleimideEnamine_005103BDBM7808CHEMBL376810SCHEMBL3381344

名称をさらに表示

AXKRZHUMKQPDBD-UHFFFAOYSA-NHMS1408H21N-(p-methoxy-phenethyl)-maleimideQFA48107EBC-06621AKOS000116741IDI1_007690CS-0219388

データベース識別子

CAS: 140481-07-8
PubChem CID: 2392392
ChEMBL: CHEMBL376810
EC Number: 982-968-2
Nikkaji: J466.424H

物性

構造計算による物性

XLogP: 1.4
極性表面積: 46.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 312

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)