基本情報
- CAS
1121-07-9- 標準SMILES
CN1C(=O)CCC1=O- InChIKey
KYEACNNYFNZCST-UHFFFAOYSA-N- 分子式
- C5H7NO2
- 平均分子量
- 113.11 g/mol
- 単同位体質量
- 113.04767847
概要
in human urine and plasma is determined by organic solvent, N-methyl-2-pyrrolidone(NMP); structure for MSI in first source
名称と識別子
- 優先名称
- N-Methylsuccinimide
- IUPAC
- 1-methylpyrrolidine-2,5-dione
- 現地名
- 1-メチル-2,5-ピロリジンジオン
- 英語名
- N-Methylsuccinimide
- 分子式
- C5H7NO2
- 分子量
- 113.11
名称と別名
N-Methylsuccinimide1121-07-92,5-Pyrrolidinedione, 1-methyl-FT9GT286W2DTXSID40149902NSC-11324RefChem:445106DTXCID1072393628-414-21-methylpyrrolidine-2,5-dione1-Methyl-2,5-pyrrolidinedioneSuccinimide, N-methyl-
名称をさらに表示
1-メチルピロリジン-2,5-ジオン1-メチル-2,5-ピロリジンジオンN-メチルスクシンイミドN-メチルこはく酸イミドN-MethylsuccinimidN-Methylsuccinimide>N-Methylsuccinimide,99%N-Methylsuccinimide, 98%+1-methyl-5-pyrrolidinedione2,5-Pyrrolidinedione,1-methyl-
MFCD00005517N-METHYL SUCCINIMIDEUNII-FT9GT286W2SCHEMBL279411-Methyl-pyrrolidine-2,5-dioneAC-15701D70368EN300-211529
データベース識別子
- CAS
1121-07-9- PubChem CID
- 70717
- DTXSID
DTXSID40149902- ChEMBL
CHEMBL317929- UNII
- FT9GT286W2
- EC Number
物性
構造計算による物性
- XLogP
- -0.9
- 極性表面積
- 37.4 Ų
- 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
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 125
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Succinimides
SpringerMaterials PropertiesChemical shift
LogP-0.95
Vapor Pressure0.000192 [mmHg]
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 61 · 61-70 °C(lit.)
- 沸点
- 234 · 234-235 °C(lit.)
- 比重(密度)
- 1.2416 · 1.2416 (rough estimate)
- 屈折率
- 1.479 · 1.4790 (estimate)
- 闪点
- 234 · 234-235°C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- -1.34 · -1.34±0.20(Predicted)
- 色
- オフホワイト
- BRN
- 110534 · 110534
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.
Warning
H315 (93.9%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards SummaryCauses changes in food intake in 10-day and 13-day oral studies of rats; [RTECS] An irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (93.9%)
安全データ
- wgk
- 2
- rtecs
- UY1028650
- hs_code
- 2925.19.9100
- risk_code
- 22-36/37/38-41
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用N-Methylsuccinimide is used as a model compound to investigate the mechanism of enolization step by density-functional theory (DFT) calculations. N-Methylsuccinimide is a metabolite of N-methyl-2-pyrrolidone (NMP) and its presence in plasma and urine can be used as a biomarker of exposure to NMP
一般的な説明N-Methylsuccinimide is a metabolite of N-methyl-2-pyrrolidone (NMP) and its presence in in plasma and urine can be used as a biomarker of exposure to NMP. Hydrogen bonded complexes between N-methylsuccinimide and phenols (pKa = 10.2 → 6) are investigated by infrared spectrometry.
上流・下流製品情報
上流原料
関連反応
10 件
化合物ノート
読み込み中…