1-amino-3-methylimidazolidine-2,4-dione hydrochloride

• ChemBase ID: 245759
• Molecular Formular: C4H8ClN3O2
• Molecular Mass: 165.57822
• Monoisotopic Mass: 165.03050419
• SMILES: N1(C(=O)N(CC1=O)N)C.Cl
• Canonical SMILES: NN1CC(=O)N(C1=O)C.Cl
• InChI: InChI=1S/C4H7N3O2.ClH/c1-6-3(8)2-7(5)4(6)9;/h2,5H2,1H3;1H
• InChIKey: GLGDAKDOVNASRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-methylimidazolidine-2,4-dione hydrochloride
• IUPAC Traditional name: 1-amino-3-methylimidazolidine-2,4-dione hydrochloride
• Synonyms: 1-amino-3-methylimidazolidine-2,4-dione hydrochloride

Database IDs

• MDL Number: MFCD23144145
• PubChem SID: 164301669
• PubChem CID: 71757796

CALCULATED PROPERTIES

• Acid pKa: 14.782229
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5281996
• LogD (pH = 7.4): -1.5230857
• Log P: -1.5230201
• Molar Refractivity: 30.4269 cm^3
• Polarizability: 11.355484 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -1.565

Product Information

• Purity: 95%