1-[3-(morpholin-4-yl)propyl]imidazolidine-2,4,5-trione hydrochloride

• ChemBase ID: 239287
• Molecular Formular: C10H16ClN3O4
• Molecular Mass: 277.70474
• Monoisotopic Mass: 277.08293369
• SMILES: N1(C(=O)NC(=O)C1=O)CCCN1CCOCC1.Cl
• Canonical SMILES: O=C1NC(=O)C(=O)N1CCCN1CCOCC1.Cl
• InChI: InChI=1S/C10H15N3O4.ClH/c14-8-9(15)13(10(16)11-8)3-1-2-12-4-6-17-7-5-12;/h1-7H2,(H,11,14,16);1H
• InChIKey: GIEVQSAPTIBYEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(morpholin-4-yl)propyl]imidazolidine-2,4,5-trione hydrochloride
• IUPAC Traditional name: 1-[3-(morpholin-4-yl)propyl]imidazolidine-2,4,5-trione hydrochloride
• Synonyms: 1-[3-(morpholin-4-yl)propyl]imidazolidine-2,4,5-trione hydrochloride

Database IDs

• MDL Number: MFCD22378713
• PubChem SID: 164295197
• PubChem CID: 71756377

CALCULATED PROPERTIES

• Acid pKa: 7.429331
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.363311
• LogD (pH = 7.4): -1.5291928
• Log P: -1.4629887
• Molar Refractivity: 58.2813 cm^3
• Polarizability: 22.554007 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.207

Product Information

• Purity: 95%