325384

N-Methylsuccinimide

99%

• Synonym(s): 1-Methyl-2,5-pyrrolidinedione, N-Methyl-2,5-pyrrolidinedione
• Empirical Formula (Hill Notation): C₅H₇NO₂
• CAS Number: 1121-07-9
• Molecular Weight: 113.11
• MDL number: MFCD00005517
• UNSPSC Code: 12352100
• PubChem Substance ID: 24859505
• NACRES: NA.22

Properties

• assay: 99%
• form: solid
• bp: 234-235 °C (lit.)
• mp: 61-70 °C (lit.)
• SMILES string: CN1C(=O)CCC1=O
• InChI: 1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
• InChI key: KYEACNNYFNZCST-UHFFFAOYSA-N

Description

General description

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.

Application

N-Methylsuccinimide was employed as model compound to investigate the mechanism of enolization step by density-functional theory (DFT) calculations.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves