1-methylpyrrolidine-2,5-dione

• ChemBase ID: 112686
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: CN1C(=O)CCC1=O
• Canonical SMILES: CN1C(=O)CCC1=O
• InChI: InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
• InChIKey: KYEACNNYFNZCST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpyrrolidine-2,5-dione
• IUPAC Traditional name: N-methylsuccinimide
• Synonyms: N-METHYLSUCCINIMIDE; N-Methylsuccinimide; N-甲基琥珀酰亚胺

Database IDs

• CAS Number: 1121-07-9
• MDL Number: MFCD00005517
• Beilstein Number: 110534
• PubChem SID: 24859505; 162097550
• PubChem CID: 70717

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7697955
• LogD (pH = 7.4): -0.7697955
• Log P: -0.7697955
• Molar Refractivity: 27.1781 cm^3
• Polarizability: 10.563849 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61-70 °C(lit.); 63-68°C
• Boiling Point: 234-235 °C(lit.); 234-235°C

Safety Information

• RTECS: UY1028650
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/37/38-41; 36/37/38
• Safety Statements: 26-36/37; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C5H7NO2

DETAILS

MP Biomedicals - 05225287

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 325384

Packaging
5, 25 g in glass bottle