(carbamoylamino)urea

• ChemBase ID: 58234
• Molecular Formular: C2H6N4O2
• Molecular Mass: 118.09464
• Monoisotopic Mass: 118.04907545
• SMILES: NC(=O)NNC(=O)N
• Canonical SMILES: NC(=O)NNC(=O)N
• InChI: InChI=1S/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
• InChIKey: ULUZGMIUTMRARO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (carbamoylamino)urea
• IUPAC Systematic name: (Carbamoylamino)urea
• IUPAC Traditional name: biurea; 1,2-hydrazinedicarboxamide
• Synonyms: N,N'-Dicarbamoylhydrazine; Hydrazine-1,2-dicarboxamide; Bicarbamamide; Bicarbamimidic acid; Biscarbamoylhydrazine; Carbamoylsemicarbazide; Hydrazinedicarboxamide; Ureidourea; Biurea; N,N'-二氨基甲酰肼

Database IDs

• CAS Number: 110-21-4
• EC Number: 203-747-2
• MDL Number: MFCD00025398
• PubChem SID: 162062997
• PubChem CID: 8039
• Chemspider ID: 7748
• Wikipedia Title: Biurea

CALCULATED PROPERTIES

• Acid pKa: 9.423652
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): -2.2868745
• LogD (pH = 7.4): -2.2904584
• Log P: -2.2868288
• Molar Refractivity: 24.6852 cm^3
• Polarizability: 9.371013 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White crystals
• Melting Point: 239-241°C dec.
• Std enthalpy of combustion: -1.1471–-1.1447 MJ mol^-1
• Std enthalpy of formation: -499.9–-497.5 kJ mol^-1

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H303
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%