2-hydrazinylquinoxaline

• ChemBase ID: 86071
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: n1c(cnc2ccccc12)NN
• Canonical SMILES: NNc1cnc2c(n1)cccc2
• InChI: InChI=1S/C8H8N4/c9-12-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,9H2,(H,11,12)
• InChIKey: GULVDPYLWVXKGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylquinoxaline
• IUPAC Traditional name: 2-hydrazinylquinoxaline
• Synonyms: 2-hydrazinylquinoxaline; (Quinoxalin-2-yl)hydrazine; 2-Hydrazinoquinoxaline

Database IDs

• CAS Number: 61645-34-9
• MDL Number: MFCD00085165
• PubChem SID: 162073187
• PubChem CID: 289847

CALCULATED PROPERTIES

• Acid pKa: 18.904676
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2164248
• LogD (pH = 7.4): 1.2842406
• Log P: 1.2851785
• Molar Refractivity: 47.4706 cm^3
• Polarizability: 18.63255 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C; 170-172°C
• Hydrophobicity(logP): 1.467

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 95%; 97%