1-ethyl-3-(2-hydroxyethyl)urea

• ChemBase ID: 270944
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=O)(NCC)NCCO
• Canonical SMILES: OCCNC(=O)NCC
• InChI: InChI=1S/C5H12N2O2/c1-2-6-5(9)7-3-4-8/h8H,2-4H2,1H3,(H2,6,7,9)
• InChIKey: MEEMWRUUCUSUTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-(2-hydroxyethyl)urea
• IUPAC Traditional name: 1-ethyl-3-(2-hydroxyethyl)urea
• Synonyms: 1-ethyl-3-(2-hydroxyethyl)urea

Database IDs

• MDL Number: MFCD12185236
• PubChem SID: 164326854
• PubChem CID: 185685

CALCULATED PROPERTIES

• Acid pKa: 15.08009
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.2497758
• LogD (pH = 7.4): -1.2497758
• Log P: -1.2497758
• Molar Refractivity: 33.9769 cm^3
• Polarizability: 12.967627 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53 - 55°C
• Hydrophobicity(logP): -0.484

Product Information

• Purity: 95%