1,1'-(2,2,4-トリメチルヘキサン-1,6-ジイル)ビス(1H-ピロール-2,5-ジオン)

1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-

HCID 170261CAS 39979-46-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(CCN1C(=O)C=CC1=O)CC(C)(C)CN1C(=O)C=CC1=O
InChIKey: XQCDLHVXAXBMGW-UHFFFAOYSA-N
分子式: C17H22N2O4
平均分子量: 318.4 g/mol
単同位体質量: 318.15795719

名称と識別子

優先名称: 1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-
IUPAC: 1-[6-(2,5-dioxopyrrol-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione
現地名: 1,1'-(2,2,4-トリメチルヘキサン-1,6-ジイル)ビス(1H-ピロール-2,5-ジオン)
英語名: 1,1'-(2,2,4-trimethylhexane-1,6-diyl)bis-1H-pyrrole-2,5-dione
分子式: C17H22N2O4
分子量: 318.37

名称と別名

39979-46-91H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-EINECS 254-730-11,1'-(2,2,4-Trimethylhexane-1,6-diyl)bis-1H-pyrrole-2,5-dioneDTXSID20885790RefChem:439186DTXCID601025152254-730-11-[6-(2,5-dioxopyrrol-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione1H-Pyrrole-2,5-dione,1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1,1'-(2,2,4-trimethylhexane-1,6-diyl)bis(1h-pyrrole-2,5-dione)SCHEMBL258452

名称をさらに表示

N,N'-(2,2,4-トリメチルヘキサン-1,6-ジイル)ジマレインイミド1,1'-(2,2,4-トリメチル-1,6-ヘキサンジイル)ビス(1H-ピロール-2,5-ジオン)N,N'-(2,2,4-トリメチルヘキサン-1,6-ジイル)ビス(マレインイミド)N,N'-(2,2,4-トリメチル-1,6-ヘキサンジイル)ビス(マレインイミド)1,1'-(2,2,4-トリメチルヘキサン-1,6-ジイル)ビス(1H-ピロール-2,5-ジオン)1，1’-（2，2，4-トリメチルヘキサン-1，6-ジイル）ビス（1H-ピロール-2，5-ジオン）1,1′-(2,2,4-トリメチル-1,6-ヘキサンジイル)ビス(1H-ピロール-2,5-ジオン)1,1′-(2,2,4-トリメチルヘキサメチレン)ビス(3-ピロリン-2,5-ジオン)1,6-ビス(N-マレインイミドイル)-2,2,4-トリメチルヘキサンN,N′-(2,2,4-トリメチルヘキサン-1,6-ジイル)ジマレインイミドN,N′-(2,2,4-トリメチルヘキサン-1,6-ジイル)ビス(マレインイミド)N,N′-(2,2,4-トリメチルヘキサン-1,6-ジイル)ビスマレイミド1-[6-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)-3,5,5-トリメチルヘキシル]-2,5-ジヒドロ-1H-ピロール-2,5-ジオン1,1′-(2,2,4-トリメチルヘキサン-1,6-ジイル)ビス(1H-ピロール-2,5-ジオン)N,N′-(2,2,4-トリメチル-1,6-ヘキサンジイル)ビス(マレインイミド)2,2,4-TrimethylhexamethylenebismaleimideN,N'-(2,2,4-Trimethylhexane-1,6-diyl)dimaleimideN,N'-(2,2,4-Trimethylhexane-1,6-diyl)bis(maleimide)N,N'-(2,2,4-Trimethyl-1,6-hexanediyl)bis(maleimide)1,1'-(2,2,4-Trimethyl-1,6-hexanediyl)bis(1H-pyrrole-2,5-dione)5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1H-Pyrrole-2 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1h-pyrrole-5-dione 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-1h-pyrrole-5-dione 1H-Pyrrole-2,5-dione,1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-

1,6-bismaleimido-2,2,4-trimethylhexane1,6-bismaleimido(2,2,4-trimethyl)hexaneNS000574281,1'-(2,2,4-Trimethylhexane-1,6-diyl)di(1H-pyrrole-2,5-dione)

データベース識別子

CAS: 39979-46-9
PubChem CID: 170261
DTXSID: DTXSID20885790
EC Number: 254-730-1
Nikkaji: J261.492H

物性

構造計算による物性

XLogP: 1.4
極性表面積: 74.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 7
重原子数: 23
形式電荷: 0
複雑度: 568

物理化学的性質

融点: 95 °C · 95°C
沸点: 476.5 · 476.5±28.0 °C(Predicted)
比重(密度): 1.216 · 1.216±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: powder or crystals
酸解離定数(Pka): -2.2 · -2.20±0.20(Predicted)
色: white to yellow
InChI: 1S/C17H22N2O4/c1-12(8-9-18-13(20)4-5-14(18)21)10-17(2,3)11-19-15(22)6-7-16(19)23/h4-7,12H,8-11H2,1-3H3
InChIKey: XQCDLHVXAXBMGW-UHFFFAOYSA-N
SMILES: O=C1C=CC(=O)N1CCC(C)CC(C)(C)CN2C(=O)C=CC2=O
EPAの化学物質情報: 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis- (39979-46-9)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (93.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 2 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)；Skin Sens. 1 (93.3%)；Eye Irrit. 2 (100%)

安全データ

wgk: WGK 3
tsca: TSCA listed
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1H-Pyrrole-2,5-dione, 1,1'-(2,2,4-trimethyl-1,6-hexanediyl)bis-: ACTIVE

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