tricalcium diazanetriide

• ChemBase ID: 302950
• Molecular Formular: Ca3N2
• Molecular Mass: 148.2474
• Monoisotopic Mass: 147.89392095
• SMILES: [NH3-3].[NH3-3].[Ca+2].[Ca+2].[Ca+2]
• Canonical SMILES: [NH3-3].[NH3-3].[Ca+2].[Ca+2].[Ca+2]
• InChI: InChI=1S/3Ca.2N/q3*+2;2*-3
• InChIKey: FRHNAPNADCRMBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricalcium diazanetriide
• IUPAC Traditional name: tricalcium diazanetriide
• Synonyms: Calcium nitride; 氮化钙

Database IDs

• CAS Number: 12013-82-0
• EC Number: 234-592-9
• MDL Number: MFCD00015985

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.1767 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: 12mm & Down Pieces
• Melting Point: 1195°C
• Density: 2.63

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3178
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-29-34
• Safety Statements: 7/8-20-26-33-36/37/39-43-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H228-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99% (metals basis)