1-(4-hydrazinylphenyl)imidazolidin-2-one hydrochloride

• ChemBase ID: 811085
• Molecular Formular: C9H13ClN4O
• Molecular Mass: 228.67872
• Monoisotopic Mass: 228.07778874
• SMILES: Cl.N1(C(=O)NCC1)c1ccc(cc1)NN
• Canonical SMILES: NNc1ccc(cc1)N1CCNC1=O.Cl
• InChI: InChI=1S/C9H12N4O.ClH/c10-12-7-1-3-8(4-2-7)13-6-5-11-9(13)14;/h1-4,12H,5-6,10H2,(H,11,14);1H
• InChIKey: IZVAPJHOUHHNQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-hydrazinylphenyl)imidazolidin-2-one hydrochloride
• IUPAC Traditional name: 1-(4-hydrazinylphenyl)imidazolidin-2-one hydrochloride
• Synonyms: 1-(4-HYDRAZINO-PHENYL)-IMIDAZOLIDIN-2-ONE HCL

CALCULATED PROPERTIES

• Acid pKa: 15.585767
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.021495977
• LogD (pH = 7.4): 0.18194781
• Log P: 0.18527044
• Molar Refractivity: 55.348 cm^3
• Polarizability: 20.02755 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%