1,3,5,2,4,6-triazatriborinane

• ChemBase ID: 126207
• Molecular Formular: B3H6N3
• Molecular Mass: 80.50074
• Monoisotopic Mass: 81.08408841
• SMILES: B1NBNBN1
• Canonical SMILES: N1BNBNB1
• InChI: InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H
• InChIKey: BGECDVWSWDRFSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,2,4,6-triazatriborinane
• IUPAC Systematic name: 1,3,5,2,4,6-Triazatriborinane
• IUPAC Traditional name: borazine
• Synonyms: borazol; inorganic benzenl; borazole (after the German name for benzenl; benzol); Borazine

Database IDs

• CAS Number: 6569-51-3
• PubChem SID: 162220548
• PubChem CID: 138768; 6327614
• CHEBI ID: 33119
• Chemspider ID: 122374
• Wikipedia Title: Borazine

CALCULATED PROPERTIES

• Acid pKa: 9.7038145
• H Acceptors: 0
• H Donor: 3
• LogD (pH = 5.5): -1.1160254
• LogD (pH = 7.4): -1.118015
• Log P: -1.116
• Molar Refractivity: 44.1447 cm^3
• Polarizability: 9.376762 Å^3
• Polar Surface Area: 47.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: colourless liquid
• Melting Point: -58 °C
• Boiling Point: 161 °C; 55 °C at 105 Pa
• Density: 0.81 g/cm^3

Safety Information

• NFPA704:
  

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