1-[2-(dimethylamino)ethyl]imidazolidine-2,4,5-trione hydrochloride

• ChemBase ID: 240438
• Molecular Formular: C7H12ClN3O3
• Molecular Mass: 221.64148
• Monoisotopic Mass: 221.05671894
• SMILES: N1(C(=O)NC(=O)C1=O)CCN(C)C.Cl
• Canonical SMILES: CN(CCN1C(=O)NC(=O)C1=O)C.Cl
• InChI: InChI=1S/C7H11N3O3.ClH/c1-9(2)3-4-10-6(12)5(11)8-7(10)13;/h3-4H2,1-2H3,(H,8,11,13);1H
• InChIKey: LGLFANKKCKINQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)ethyl]imidazolidine-2,4,5-trione hydrochloride
• IUPAC Traditional name: 1-[2-(dimethylamino)ethyl]imidazolidine-2,4,5-trione hydrochloride
• Synonyms: 1-[2-(dimethylamino)ethyl]imidazolidine-2,4,5-trione hydrochloride

Database IDs

• MDL Number: MFCD22392143
• PubChem SID: 164296348
• PubChem CID: 71756553

CALCULATED PROPERTIES

• Acid pKa: 7.144282
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8318708
• LogD (pH = 7.4): -2.4892495
• Log P: -2.3959353
• Molar Refractivity: 44.3414 cm^3
• Polarizability: 17.047794 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.371

Product Information

• Purity: 95%