calciumdicarbonitrile

• ChemBase ID: 109337
• Molecular Formular: C2CaN2
• Molecular Mass: 92.1128
• Monoisotopic Mass: 91.96873899
• SMILES: N#C[Ca]C#N
• Canonical SMILES: N#C[Ca]C#N
• InChI: InChI=1S/2CN.Ca/c2*1-2
• InChIKey: OEYMAKISKGNYAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calciumdicarbonitrile
• IUPAC Traditional name: calcium cyanide
• Synonyms: CALCIUM CYANIDE

Database IDs

• CAS Number: 592-01-8
• EC Number: 209-740-0
• PubChem SID: 162094937
• PubChem CID: 11590

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7198
• LogD (pH = 7.4): -0.7198
• Log P: -0.7198
• Molar Refractivity: 13.3112 cm^3
• Polarizability: 6.898665 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%

DETAILS

MP Biomedicals - 05210688

MP Biomedicals Rare Chemical collection