3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide

• ChemBase ID: 248869
• Molecular Formular: C8H14N4O3
• Molecular Mass: 214.22176
• Monoisotopic Mass: 214.10659033
• SMILES: N1(C(=O)NC(C1=O)(C)C)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCN1C(=O)NC(C1=O)(C)C
• InChI: InChI=1S/C8H14N4O3/c1-8(2)6(14)12(7(15)10-8)4-3-5(13)11-9/h3-4,9H2,1-2H3,(H,10,15)(H,11,13)
• InChIKey: OGQFMIYDMPTKJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
• IUPAC Traditional name: 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
• Synonyms: 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanohydrazide

Database IDs

• MDL Number: MFCD06655586
• PubChem SID: 164304779
• PubChem CID: 4962151

CALCULATED PROPERTIES

• Acid pKa: 11.562912
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.6147121
• LogD (pH = 7.4): -1.6134819
• Log P: -1.6134366
• Molar Refractivity: 52.2403 cm^3
• Polarizability: 19.938604 Å^3
• Polar Surface Area: 104.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): -2.345

Product Information

• Purity: 95%