potassium tris(1H-pyrazol-1-yl)boranuide

• ChemBase ID: 129087
• Molecular Formular: C9H9BKN6
• Molecular Mass: 251.11726
• Monoisotopic Mass: 251.0618814
• SMILES: [B-](n1nccc1)(n1nccc1)n1nccc1.[K+]
• Canonical SMILES: c1cnn(c1)[B-](n1cccn1)n1cccn1.[K+]
• InChI: InChI=1S/C9H10BN6.K/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;/h1-10H;/q-1;+1
• InChIKey: IBNGZWIUPDMZMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium tris(1H-pyrazol-1-yl)boranuide
• IUPAC Traditional name: potassium tris(pyrazol-1-yl)boranuide
• Synonyms: Potassium trispyrazolylborate; Potassium hydrotris(1-pyrazolyl)borate; 氢化三(1-吡唑)硼酸钾

Database IDs

• CAS Number: 18583-60-3
• MDL Number: MFCD00040346
• PubChem SID: 162223386
• PubChem CID: 23662148
• Wikipedia Title: Potassium_trispyrazolylborate

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.32036734
• LogD (pH = 7.4): -0.31723994
• Log P: -0.3172
• Molar Refractivity: 88.5941 cm^3
• Polarizability: 22.309752 Å^3
• Polar Surface Area: 53.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 185-189°C; 188-189 °C

Safety Information

• TSCA Listed: 否