5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide

• ChemBase ID: 51254
• Molecular Formular: C9H16N4O3
• Molecular Mass: 228.24834
• Monoisotopic Mass: 228.12224039
• SMILES: N1(C(=O)N(CC1=O)C)CCCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCCN1C(=O)CN(C1=O)C
• InChI: InChI=1S/C9H16N4O3/c1-12-6-8(15)13(9(12)16)5-3-2-4-7(14)11-10/h2-6,10H2,1H3,(H,11,14)
• InChIKey: UGVPHAXQDZWUCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
• IUPAC Traditional name: 5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
• Synonyms: 5-(3-methyl-2,5-dioxo-1-imidazolidinyl)pentanohydrazide; 5-(3-Methyl-2,5-dioxo-1-imidazolidinyl)-pentanohydrazide

Database IDs

• MDL Number: MFCD16140301
• PubChem SID: 162056017
• PubChem CID: 50853274

CALCULATED PROPERTIES

• Acid pKa: 12.693709
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6606143
• LogD (pH = 7.4): -1.658095
• Log P: -1.6580607
• Molar Refractivity: 57.2858 cm^3
• Polarizability: 21.756643 Å^3
• Polar Surface Area: 95.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75 °C; 73-75°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%