[2-(dimethylamino)ethyl]urea

• ChemBase ID: 270931
• Molecular Formular: C5H13N3O
• Molecular Mass: 131.17622
• Monoisotopic Mass: 131.10586205
• SMILES: C(=O)(NCCN(C)C)N
• Canonical SMILES: CN(CCNC(=O)N)C
• InChI: InChI=1S/C5H13N3O/c1-8(2)4-3-7-5(6)9/h3-4H2,1-2H3,(H3,6,7,9)
• InChIKey: HJBKBFDBNBYNDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl]urea
• IUPAC Traditional name: 2-(dimethylamino)ethylurea
• Synonyms: [2-(dimethylamino)ethyl]urea

Database IDs

• MDL Number: MFCD09732072
• PubChem SID: 164326841
• PubChem CID: 16785331

CALCULATED PROPERTIES

• Acid pKa: 15.8098545
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.008148
• LogD (pH = 7.4): -2.2593186
• Log P: -1.1215132
• Molar Refractivity: 36.0584 cm^3
• Polarizability: 13.828541 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.797

Product Information

• Purity: 95%