borirane

• ChemBase ID: 126208
• Molecular Formular: C2H5B
• Molecular Mass: 39.8721
• Monoisotopic Mass: 40.04843056
• SMILES: B1CC1
• Canonical SMILES: C1CB1
• InChI: InChI=1S/C2H5B/c1-2-3-1/h3H,1-2H2
• InChIKey: OGVHYCXTHGZYKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: borirane
• IUPAC Traditional name: borirane
• Synonyms: Borirane

Database IDs

• CAS Number: 39517-80-1
• PubChem SID: 162220549
• PubChem CID: 18426477
• Chemspider ID: 14566055
• Wikipedia Title: Borirane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8672
• LogD (pH = 7.4): 0.8672
• Log P: 0.8672
• Molar Refractivity: 10.0276 cm^3
• Polarizability: 5.73751 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 15.425 g dm^-3 in water
• Melting Point: -129°C
• Boiling Point: -24°C