3-aminoimidazolidine-2,4-dione

• ChemBase ID: 246241
• Molecular Formular: C3H5N3O2
• Molecular Mass: 115.0907
• Monoisotopic Mass: 115.03817642
• SMILES: N1(C(=O)NCC1=O)N
• Canonical SMILES: NN1C(=O)CNC1=O
• InChI: InChI=1S/C3H5N3O2/c4-6-2(7)1-5-3(6)8/h1,4H2,(H,5,8)
• InChIKey: DCROTKUJYXYESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminoimidazolidine-2,4-dione
• IUPAC Traditional name: 3-aminoimidazolidine-2,4-dione
• Synonyms: 3-aminoimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD06255136
• PubChem SID: 164302151
• PubChem CID: 3446561

CALCULATED PROPERTIES

• Acid pKa: 11.383095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.746933
• LogD (pH = 7.4): -1.7467438
• Log P: -1.7466961
• Molar Refractivity: 25.5302 cm^3
• Polarizability: 9.555252 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): -2.073

Product Information

• Purity: 95%