2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide

• ChemBase ID: 138932
• Molecular Formular: C9H15N3O2
• Molecular Mass: 197.2343
• Monoisotopic Mass: 197.11642674
• SMILES: CC(=C)C(=O)NCCN1CCNC1=O
• Canonical SMILES: CC(=C)C(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C9H15N3O2/c1-7(2)8(13)10-3-5-12-6-4-11-9(12)14/h1,3-6H2,2H3,(H,10,13)(H,11,14)
• InChIKey: ZHNZXPCKMAJBQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
• IUPAC Traditional name: 2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
• Synonyms: N-[2-(2-Oxo-1-imidazolidinyl)ethyl]methacrylamide; 2-甲基-N-[2-(2-氧-1-咪唑烷基)乙基]-2-丙烯酰胺

Database IDs

• CAS Number: 3089-19-8
• EC Number: 221-426-5
• MDL Number: MFCD00216626
• PubChem SID: 162233183
• PubChem CID: 76531

CALCULATED PROPERTIES

• Acid pKa: 14.1189995
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6906906
• LogD (pH = 7.4): -0.69062525
• Log P: -0.6906243
• Molar Refractivity: 52.2621 cm^3
• Polarizability: 19.9345 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.11 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.456(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 45-37/38-41-43
• Safety Statements: 53-23-26-36/37/39
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H318-H335-H350
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: technical grade
• Impurities: ~30% water; 20-25% methacrylic acid; 3% minoethylethylene urea
• Contains: 1800-2450 ppm hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C9H15N3O2

DETAILS

Sigma Aldrich - 437409

Application
Adhesion promoter