1-aminoimidazolidin-2-one

• ChemBase ID: 247048
• Molecular Formular: C3H7N3O
• Molecular Mass: 101.10718
• Monoisotopic Mass: 101.05891186
• SMILES: C1(=O)N(N)CCN1
• Canonical SMILES: O=C1NCCN1N
• InChI: InChI=1S/C3H7N3O/c4-6-2-1-5-3(6)7/h1-2,4H2,(H,5,7)
• InChIKey: DHIVBEZCBBHIPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminoimidazolidin-2-one
• IUPAC Traditional name: 1-aminoimidazolidin-2-one
• Synonyms: 1-aminoimidazolidin-2-one

Database IDs

• MDL Number: MFCD09836497
• PubChem SID: 164302958
• PubChem CID: 181697

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -1.3900717
• LogD (pH = 7.4): -1.3845533
• Log P: -1.3844824
• Molar Refractivity: 25.4511 cm^3
• Polarizability: 9.375 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 13.731681
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.637

Product Information

• Purity: 95%