1-メチルイミダゾリジン-2,4,5-トリオン

1-Methylimidazolidine-2,4,5-trione

HCID 123196

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3659-97-0
標準SMILES: CN1C(=O)NC(=O)C1=O
InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N
分子式: C4H4N2O3
平均分子量: 128.09 g/mol
単同位体質量: 128.02219199

概要

Methylparabanic acid is a member of imidazolidines.

名称と識別子

優先名称: 1-Methylimidazolidine-2,4,5-trione
IUPAC: 1-methylimidazolidine-2,4,5-trione
現地名: 1-メチルイミダゾリジン-2,4,5-トリオン
英語名: 1-Methylparabanic acid
分子式: C4H4N2O3
分子量: 128.09

名称と別名

1-methylimidazolidine-2,4,5-trione1-Methyl-2,4,5-imidazolidinetrioneRefChem:434630874-484-43659-97-0Methylparabanic acid1-Methylparabanic acidImidazolidinetrione, methyl-N-Methylparabanic acidMFCD004570471-Methyl-2,4,5-trioxoimidazolidine1-methylimidazolidinetrione

名称をさらに表示

1-メチルパラバン酸1-メチルイミダゾリジン-2,4,5-トリオン1-メチル-2,4,5-イミダゾリジントリオン2,4,5-Imidazolidinetrione, 1-methyl-

MethylparabansaureN-MethylimidazolidinetrioneCHEBI:6886SCHEMBL1609527SCHEMBL2728471SCHEMBL6552008DTXSID001900761-Methyl-imidazolidine-2,4,5-trione

データベース識別子

CAS: 3659-97-0
PubChem CID: 123196
DTXSID: DTXSID00190076
ChEBI: CHEBI:6886
EC Number: 874-484-4
Nikkaji: J284.219J

物性

構造計算による物性

XLogP: -1
極性表面積: 66.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 198

物理化学的性質

貯蔵温度: 2 · 2-8°C
外見: solid
InChI: 1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)
InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N
SMILES: O=C(NC1=O)N(C)C1=O

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.