formylurea

• ChemBase ID: 109953
• Molecular Formular: C2H4N2O2
• Molecular Mass: 88.06536
• Monoisotopic Mass: 88.02727738
• SMILES: NC(=O)NC=O
• Canonical SMILES: O=CNC(=O)N
• InChI: InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)
• InChIKey: JOWMUPQBELRFRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formylurea
• IUPAC Traditional name: formylurea
• Synonyms: N-Formylurea; FORMYLUREA; N-甲酰基脲

Database IDs

• CAS Number: 1190-24-5
• EC Number: 214-719-4
• MDL Number: MFCD00039769
• Beilstein Number: 1745350
• PubChem SID: 162095692
• PubChem CID: 70922

CALCULATED PROPERTIES

• Acid pKa: 11.966354
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4239244
• LogD (pH = 7.4): -1.4239359
• Log P: -1.4239242
• Molar Refractivity: 18.218 cm^3
• Polarizability: 7.018457 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168-170°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05213164

MP Biomedicals Rare Chemical collection