barium(2+) ion bis(iminomethanide)

• ChemBase ID: 107804
• Molecular Formular: C2BaN2
• Molecular Mass: 189.3618
• Monoisotopic Mass: 189.91139501
• SMILES: [Ba+2].[C-]#N.[C-]#N
• Canonical SMILES: N#[C-].N#[C-].[Ba+2]
• InChI: InChI=1S/2CN.Ba/c2*1-2;/q2*-1;+2
• InChIKey: UNLSXXHOHZUADN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion bis(iminomethanide)
• IUPAC Traditional name: barium(2+) ion bis(cyanide); barium(2+) bis(cyanide)
• Synonyms: BARIUM CYANIDE

Database IDs

• CAS Number: 542-62-1
• PubChem SID: 162093712
• PubChem CID: 10961; 6093184
• Chemspider ID: 10496
• Wikipedia Title: Barium_cyanide

CALCULATED PROPERTIES

• Acid pKa: 9.5
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• Molar Refractivity: 15.8149 cm^3
• Polarizability: 2.6105857 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Also soluble in ethanol; Soluble in water
• Apperance: white crystal
• Melting Point: 600 °C

DETAILS

MP Biomedicals - 05205084

MP Biomedicals Rare Chemical collection