(2-methoxyethyl)urea

• ChemBase ID: 41419
• Molecular Formular: C4H10N2O2
• Molecular Mass: 118.1344
• Monoisotopic Mass: 118.07422757
• SMILES: C(=O)(NCCOC)N
• Canonical SMILES: COCCNC(=O)N
• InChI: InChI=1S/C4H10N2O2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
• InChIKey: IHCDQQHNHQCALV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)urea
• IUPAC Traditional name: 2-methoxyethylurea
• Synonyms: N-(2-Methoxyethyl)urea; (2-Methoxy-ethyl)-urea

Database IDs

• CAS Number: 22033-10-9
• MDL Number: MFCD03425768
• PubChem SID: 162046182
• PubChem CID: 186068

CALCULATED PROPERTIES

• Acid pKa: 15.352772
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1871333
• LogD (pH = 7.4): -1.1871333
• Log P: -1.1871333
• Molar Refractivity: 29.0828 cm^3
• Polarizability: 11.215801 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C; 73 - 75 °C; 73-75°C
• Hydrophobicity(logP): -1.146

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%