1-amino-3-(2-methoxyethyl)urea

• ChemBase ID: 264252
• Molecular Formular: C4H11N3O2
• Molecular Mass: 133.14904
• Monoisotopic Mass: 133.08512661
• SMILES: C(=O)(NN)NCCOC
• Canonical SMILES: COCCNC(=O)NN
• InChI: InChI=1S/C4H11N3O2/c1-9-3-2-6-4(8)7-5/h2-3,5H2,1H3,(H2,6,7,8)
• InChIKey: SPGGZMJCZCMERJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-(2-methoxyethyl)urea
• IUPAC Traditional name: 1-amino-3-(2-methoxyethyl)urea
• Synonyms: 1-amino-3-(2-methoxyethyl)urea

Database IDs

• MDL Number: MFCD11106060
• PubChem SID: 164320162
• PubChem CID: 15692797

CALCULATED PROPERTIES

• Acid pKa: 12.834592
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.4852539
• LogD (pH = 7.4): -1.4836314
• Log P: -1.483609
• Molar Refractivity: 33.5669 cm^3
• Polarizability: 12.65045 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.613

Product Information

• Purity: 95%