2-benzyl-3-hydrazinylquinoxaline

• ChemBase ID: 40830
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: c1(nc2c(nc1Cc1ccccc1)cccc2)NN
• Canonical SMILES: NNc1nc2ccccc2nc1Cc1ccccc1
• InChI: InChI=1S/C15H14N4/c16-19-15-14(10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,18,19)
• InChIKey: VVXTVQMXZGMAAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-3-hydrazinylquinoxaline
• IUPAC Traditional name: 2-benzyl-3-hydrazinylquinoxaline
• Synonyms: 2-Benzyl-3-hydrazinoquinoxaline

Database IDs

• CAS Number: 223929-23-5
• MDL Number: MFCD08056617
• PubChem SID: 162045593
• PubChem CID: 488815

CALCULATED PROPERTIES

• Acid pKa: 18.757938
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2096255
• LogD (pH = 7.4): 3.2503438
• Log P: 3.2508886
• Molar Refractivity: 76.784 cm^3
• Polarizability: 30.032528 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155 °C; 153-155°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%