1,2-dihydro-1,2-azaborinine

• ChemBase ID: 125106
• Molecular Formular: C4H6BN
• Molecular Mass: 78.90814
• Monoisotopic Mass: 79.0593296
• SMILES: C1=CBNC=C1
• Canonical SMILES: N1BC=CC=C1
• InChI: InChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-6H
• InChIKey: OGZZEGWWYQKMSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydro-1,2-azaborinine
• IUPAC Traditional name: 1,2-dihydro-1,2-azaborine
• Synonyms: 1,2-Dihydro-1,2-azaborine

Database IDs

• CAS Number: 6680-69-9
• PubChem SID: 162219456
• PubChem CID: 12300196
• CHEBI ID: 38583
• Chemspider ID: 24769701
• Wikipedia Title: 1,2-Dihydro-1,2-azaborine

CALCULATED PROPERTIES

• Acid pKa: 14.921342
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 1.0256
• LogD (pH = 7.4): 1.0256
• Log P: 1.0256
• Molar Refractivity: 32.0295 cm^3
• Polarizability: 10.064973 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: clear, colorless liquid
• Melting Point: -46 to -45 °C.