imidazolidin-4-one hydrochloride

• ChemBase ID: 71006
• Molecular Formular: C3H7ClN2O
• Molecular Mass: 122.55348
• Monoisotopic Mass: 122.02469053
• SMILES: C1NC(=O)CN1.Cl
• Canonical SMILES: C1NCNC1=O.Cl
• InChI: InChI=1S/C3H6N2O.ClH/c6-3-1-4-2-5-3;/h4H,1-2H2,(H,5,6);1H
• InChIKey: DCQHTUPOWLBQSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazolidin-4-one hydrochloride
• IUPAC Traditional name: imidazolidin-4-one hydrochloride
• Synonyms: Imidazolidin-4-one hydrochloride

Database IDs

• CAS Number: 1373253-20-3
• MDL Number: MFCD22194318
• PubChem SID: 162103508
• PubChem CID: 56965782

CALCULATED PROPERTIES

• Acid pKa: 12.144566
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5401601
• LogD (pH = 7.4): -1.3624102
• Log P: -1.3595858
• Molar Refractivity: 20.3374 cm^3
• Polarizability: 8.301951 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%