2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

• ChemBase ID: 145009
• Molecular Formular: C9H14N2O3
• Molecular Mass: 198.21906
• Monoisotopic Mass: 198.10044232
• SMILES: CC(=C)C(=O)OCCN1CCNC1=O
• Canonical SMILES: CC(=C)C(=O)OCCN1CCNC1=O
• InChI: InChI=1S/C9H14N2O3/c1-7(2)8(12)14-6-5-11-4-3-10-9(11)13/h1,3-6H2,2H3,(H,10,13)
• InChIKey: PFPUZMSQZJFLBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
• Synonyms: 2-(2-Oxo-1-imidazolidinyl)ethyl methacrylate solution; 2-甲基-2-丙烯酸-2-(2-氧代-1-咪唑啉基)乙基酯 溶液

Database IDs

• CAS Number: 86261-90-7
• MDL Number: MFCD00192374
• PubChem SID: 162239219; 24866604
• PubChem CID: 643493

CALCULATED PROPERTIES

• Acid pKa: 13.934592
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2718696
• LogD (pH = 7.4): 0.2718695
• Log P: 0.27186963
• Molar Refractivity: 50.3123 cm^3
• Polarizability: 19.513494 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -30 °C
• Boiling Point: 100 °C
• Flash Point: 16 °C; 60.8 °F
• Density: 0.99 g/mL at 25 °C
• Refractive Index: n20/D 1.437

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1247
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-36/37/38-43
• Safety Statements: 16-26-36/37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H315-H317-H319-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1247 3/PG 2

Product Information

• Concentration: 25 wt. % in methyl methacrylate
• Contains: 225-275 ppm phenothiazine as inhibitor; 70-110 ppm monomethyl ether hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C9H14N2O3

DETAILS

Sigma Aldrich - 424986

Application
Adhesion promoter
Packaging
10 g in glass bottle