[2-(carbamoylamino)ethyl]urea

• ChemBase ID: 127340
• Molecular Formular: C4H10N4O2
• Molecular Mass: 146.1478
• Monoisotopic Mass: 146.08037558
• SMILES: O=C(NCCNC(=O)N)N
• Canonical SMILES: NC(=O)NCCNC(=O)N
• InChI: InChI=1S/C4H10N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H2,(H3,5,7,9)(H3,6,8,10)
• InChIKey: ZUTJDJAXWKOOOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(carbamoylamino)ethyl]urea
• IUPAC Traditional name: urea, N,N''-1,2-ethanediylbis-
• Synonyms: Ethanediurea; 1,1'-Ethylenebisurea; Ethylene diurea

Database IDs

• CAS Number: 1852-14-8
• PubChem SID: 162221661
• PubChem CID: 74614
• Chemspider ID: 67189
• Wikipedia Title: Ethylene_diurea

CALCULATED PROPERTIES

• Acid pKa: 14.868519
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): -2.4518406
• LogD (pH = 7.4): -2.4518406
• Log P: -2.4518406
• Molar Refractivity: 34.1096 cm^3
• Polarizability: 12.958093 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192°C