calcium bis(iminomethanide)

• ChemBase ID: 126337
• Molecular Formular: C2CaN2
• Molecular Mass: 92.1128
• Monoisotopic Mass: 91.96873899
• SMILES: [Ca+2].[C-]#N.[C-]#N
• Canonical SMILES: N#[C-].N#[C-].[Ca+2]
• InChI: InChI=1S/2CN.Ca/c2*1-2;/q2*-1;+2
• InChIKey: ZQULWKDLLXZZSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium bis(iminomethanide)
• IUPAC Systematic name: calcium dicyanide
• IUPAC Traditional name: calcium bis(cyanide)
• Synonyms: Calcium cyanide

Database IDs

• CAS Number: 592-01-8
• EC Number: 209-740-0
• PubChem SID: 162220674
• PubChem CID: 11590; 6093192
• Chemspider ID: 11102
• Wikipedia Title: Calcium_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: soluble in alcohol, weak acids; soluble in water
• Apperance: white powder
• Melting Point: 640°C (decomp)
• Auto Ignition Point: non-flammable
• Density: 1.853 (20 °C)
• Odor: hydrogen cyanide

Safety Information

• Safety Statements: R