1-(3-ethoxypropyl)imidazolidine-2,4,5-trione

• ChemBase ID: 235577
• Molecular Formular: C8H12N2O4
• Molecular Mass: 200.19188
• Monoisotopic Mass: 200.07970687
• SMILES: N1(C(=O)NC(=O)C1=O)CCCOCC
• Canonical SMILES: CCOCCCN1C(=O)NC(=O)C1=O
• InChI: InChI=1S/C8H12N2O4/c1-2-14-5-3-4-10-7(12)6(11)9-8(10)13/h2-5H2,1H3,(H,9,11,13)
• InChIKey: OUEJVRGNWQXNMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-ethoxypropyl)imidazolidine-2,4,5-trione
• IUPAC Traditional name: 1-(3-ethoxypropyl)imidazolidine-2,4,5-trione
• Synonyms: 1-(3-ethoxypropyl)imidazolidine-2,4,5-trione

Database IDs

• MDL Number: MFCD06342736
• PubChem SID: 164291487
• PubChem CID: 2080936

CALCULATED PROPERTIES

• Acid pKa: 7.3362226
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6164235
• LogD (pH = 7.4): -0.93859893
• Log P: -0.61020917
• Molar Refractivity: 46.9798 cm^3
• Polarizability: 18.09849 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.092

Product Information

• Purity: 95%