2,5-dioxopyrrolidin-1-ide; tetrabutylazanium

• ChemBase ID: 152359
• Molecular Formular: C20H40N2O2
• Molecular Mass: 340.5438
• Monoisotopic Mass: 340.30897853
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1CC(=O)[N-]C1=O
• Canonical SMILES: O=C1CCC(=O)[N-]1.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.C4H5NO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-3-1-2-4(7)5-3/h5-16H2,1-4H3;1-2H2,(H,5,6,7)/q+1;/p-1
• InChIKey: OYSUQMQPIJNEBF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-ide; tetrabutylazanium
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-ide; tetrabutylammonium
• Synonyms: Succinimide tetrabutylammonium salt; Tetrabutylammonium succinimide; 琥珀酰亚胺 四丁基铵盐; 四丁基铵琥珀酰亚胺

Database IDs

• CAS Number: 74830-30-1
• MDL Number: MFCD00210091
• Beilstein Number: 4628898
• PubChem SID: 162246504; 24888775
• PubChem CID: 13661388

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~75 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT)
• Empirical Formula (Hill Notation): C20H40N2O2

DETAILS

Sigma Aldrich - 86841

Application
This lipophilic quaternary ammonium salt allows reactions with the succinimide anion to be run in aprotic, organic solvents
Packaging
5 g in glass bottle