2-(pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione

HCID 339434CAS 7736-25-6

基本情報

標準SMILES: C=CCCCN1C(=O)c2ccccc2C1=O
InChIKey: BYKYMPVVZNUAEX-UHFFFAOYSA-N
分子式: C13H13NO2
平均分子量: 215.25 g/mol
単同位体質量: 215.09462866

名称と識別子

優先名称: 2-(pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 2-pent-4-enylisoindole-1,3-dione
英語名: 2-pent-4-en-1-yl-1H-isoindole-1,3(2H)-dione
分子式: C13H13NO2
分子量: 215.25

名称と別名

2-(pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:461750976-241-97736-25-62-(PENT-4-EN-1-YL)ISOINDOLINE-1,3-DIONE2-pent-4-enylisoindole-1,3-dione2-pent-4-en-1-yl-1H-isoindole-1,3(2H)-dione2-(pent-4-enyl)-isoindoline-1,3-dioneMFCD00957803SCHEMBL571198DTXSID303209002-(PENT-4-EN-1-YL)ISOINDOLE-1,3-DIONE

名称をさらに表示

2-(pent-4-enyl)isoindole-1,3-dione2-(pentyl-4-ene-1-yl)isoindoleline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(4-penten-1-yl)-

SB64813EN300-212162NSC366112N-4-pentenylphthalimN-4-pentenylphthalimideN-(Pent-4-en-1-yl)phthalimideBYKYMPVVZNUAEX-UHFFFAOYSA-NHAA73625

データベース識別子

CAS: 7736-25-6
PubChem CID: 339434
DTXSID: DTXSID30320900
EC Number: 976-241-9
Nikkaji: J929.291H

物性

構造計算による物性

XLogP: 2.9
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: 4
重原子数: 16
形式電荷: 0
複雑度: 287

物理化学的性質

融点: 40 °C · 40 °C
沸点: 155 · 155-157 °C(Press: 2 Torr)
比重(密度): 1.164 · 1.164±0.06 g/cm3(Predicted)
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Low-Melting Solid
酸解離定数(Pka): -2.12 · -2.12±0.20(Predicted)
色: White to Pale Yellow

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, 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)

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%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用2-(4-Penten-1-yl)-1H-isoindole-1,3(2H)-dione is an intermediate in synthesizing 4-Penten-1-amine (P227400), which in the presence of sugars, lysine, similarly to asparagine and phenylalanine, can undergo carbonyl-assisted decarboxylative deamination reaction to generate pent-4-en-1-amine, the counterpart of acrylamide.