(3-ethoxypropyl)urea

• ChemBase ID: 251136
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: C(=O)(NCCCOCC)N
• Canonical SMILES: CCOCCCNC(=O)N
• InChI: InChI=1S/C6H14N2O2/c1-2-10-5-3-4-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
• InChIKey: RVCWCFQLRDEUQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethoxypropyl)urea
• IUPAC Traditional name: 3-ethoxypropylurea
• Synonyms: (3-ethoxypropyl)urea

Database IDs

• MDL Number: MFCD06335193
• PubChem SID: 164307046
• PubChem CID: 2115229

CALCULATED PROPERTIES

• Acid pKa: 15.619125
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.77036566
• LogD (pH = 7.4): -0.7703656
• Log P: -0.7703656
• Molar Refractivity: 38.6968 cm^3
• Polarizability: 14.86088 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.328

Product Information

• Purity: 95%