(nitronitroso)amine

• ChemBase ID: 127106
• Molecular Formular: N2O3
• Molecular Mass: 76.0116
• Monoisotopic Mass: 75.99089187
• SMILES: [O-][N+](=O)N=O
• Canonical SMILES: O=N[N+](=O)[O-]
• InChI: InChI=1S/N2O3/c3-1-2(4)5
• InChIKey: LZDSILRDTDCIQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (nitronitroso)amine
• IUPAC Traditional name: dinitrogen trioxide
• Synonyms: Nitrous anhydride; nitrogen sesquioxide; Dinitrogen trioxide

Database IDs

• CAS Number: 10544-73-7
• PubChem SID: 162221429
• PubChem CID: 61526
• CHEBI ID: 29799
• Chemspider ID: 55446
• Wikipedia Title: Dinitrogen_trioxide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1714823
• LogD (pH = 7.4): 1.1714823
• Log P: 1.1714823
• Molar Refractivity: 10.3329 cm^3
• Polarizability: 4.228447 Å^3
• Polar Surface Area: 75.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: very soluble in water
• Apperance: deep blue liquid
• Melting Point: −100.1 °C (173.05 K)
• Boiling Point: 3 °C (276 K)
• Flash Point: Non-flammable
• Density: 1.4 g/cm^3, liquid ; 1.783 g/cm^3 (gas)
• Std enthalpy of formation: +91.20 kJ/mol
• Std molar entropy: 314.63 J K^−1 mol^−1

Safety Information

• EU Index: Not listed
• NFPA704:
  

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  3

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  OX