calcium cyanoazanediide

• ChemBase ID: 303907
• Molecular Formular: CH2CaN2
• Molecular Mass: 82.11798
• Monoisotopic Mass: 81.98438905
• SMILES: C(#N)[NH2-2].[Ca+2]
• Canonical SMILES: [NH2-2]C#N.[Ca+2]
• InChI: InChI=1S/CN2.Ca/c2-1-3;/q-2;+2
• InChIKey: MYFXBBAEXORJNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium cyanoazanediide
• IUPAC Traditional name: calcium cyanoazanediide
• Synonyms: Calcium cyanamide, tech.; 氰氨化钙, tech.

Database IDs

• CAS Number: 156-62-7
• EC Number: 205-861-8
• MDL Number: MFCD00064894
• Beilstein Number: 4124391
• Merck Index: 141662

CALCULATED PROPERTIES

• Acid pKa: 10.868943
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.64494234
• LogD (pH = 7.4): -0.64494234
• Log P: -0.64494234
• Molar Refractivity: 9.3556 cm^3
• Polarizability: 3.0544927 Å^3
• Polar Surface Area: 46.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 1340°C
• Density: 2.29

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: GS6000000
• European Hazard Symbols: X
• UN Number: UN1403
• Hazard Class: 4.3
• Packing Group: III
• Risk Statements: 22-37-41
• Safety Statements: 2-22-26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H302-H335
• GHS Precautionary statements: P261-P280-P305+P351+P338-P304+P340-P405-P501A