(cyanotitaniumylidyne)amine

• ChemBase ID: 111370
• Molecular Formular: CN2Ti
• Molecular Mass: 87.8911
• Monoisotopic Mass: 87.95409431
• SMILES: N#C[Ti]#N
• Canonical SMILES: N#[Ti]C#N
• InChI: InChI=1S/CN.N.Ti/c1-2
• InChIKey: DJSSMLBZKCXQGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyanotitaniumylidyne)amine
• IUPAC Traditional name: (cyanotitaniumylidyne)amine
• Synonyms: TITANIUM CYANONITRIDE

Database IDs

• PubChem SID: 162106539
• PubChem CID: 25147454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2201
• LogD (pH = 7.4): 0.2201
• Log P: 0.2201
• Molar Refractivity: 19.7705 cm^3
• Polarizability: 5.952239 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218881

MP Biomedicals Rare Chemical collection