(2-ethoxyethyl)urea

• ChemBase ID: 237389
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=O)(NCCOCC)N
• Canonical SMILES: CCOCCNC(=O)N
• InChI: InChI=1S/C5H12N2O2/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
• InChIKey: YCYFTJRVSBLIFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxyethyl)urea
• IUPAC Traditional name: 2-ethoxyethylurea
• Synonyms: (2-ethoxyethyl)urea

Database IDs

• MDL Number: MFCD12080104
• PubChem SID: 164293299
• PubChem CID: 22179647

CALCULATED PROPERTIES

• Acid pKa: 15.464896
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.83032537
• LogD (pH = 7.4): -0.83032537
• Log P: -0.83032537
• Molar Refractivity: 33.8314 cm^3
• Polarizability: 13.035618 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): -0.617

Product Information

• Purity: 95%