calcium aminoformonitrile

• ChemBase ID: 126336
• Molecular Formular: CH2CaN2++
• Molecular Mass: 82.11798
• Monoisotopic Mass: 81.98438905
• SMILES: [Ca+2].N#CN
• Canonical SMILES: NC#N.[Ca+2]
• InChI: InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2
• InChIKey: STRTXDFFNXSZQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium aminoformonitrile
• IUPAC Traditional name: calcium cyanamide
• Synonyms: Cyanamide calcium salt; Lime Nitroget; UN 1403, Nitrolime; Calcium cyanamide

Database IDs

• CAS Number: 156-62-7
• EC Number: 205-861-8
• PubChem SID: 162220673
• PubChem CID: 4685067; 21917771
• Chemspider ID: 10669887
• Unique Ingredient Identifier: ZLR270912W
• Wikipedia Title: Calcium_cyanamide

CALCULATED PROPERTIES

• Acid pKa: 10.868943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.64494234
• LogD (pH = 7.4): -0.64494234
• Log P: -0.64494234
• Molar Refractivity: 10.8777 cm^3
• Polarizability: 3.6036916 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: White solid (Often gray or black from impurities)
• Melting Point: 1340 °C
• Boiling Point: 1150-1200 °C (sublim.)
• Flash Point: Non-flammable
• Density: 2.29 g/cm^3
• Odor: odorless

Safety Information

• RTECS: GS6000000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 1403
• Risk Statements: R22 R37 R41
• Safety Statements: S2 S22 S26 S36/37/39
• EU Index: 615-017-00-4
• NFPA704:
  

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