diazooxidane

• ChemBase ID: 128636
• Molecular Formular: N2O
• Molecular Mass: 44.0128
• Monoisotopic Mass: 44.00106263
• SMILES: [N-]=[N+]=O
• Canonical SMILES: [N-]=[N+]=O
• InChI: InChI=1S/N2O/c1-2-3
• InChIKey: GQPLMRYTRLFLPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diazooxidane
• IUPAC Traditional name: nitrous oxide
• Synonyms: Laughing gas; sweet air; Nitrous oxide

Database IDs

• CAS Number: 10024-97-2
• PubChem SID: 162222943
• PubChem CID: 948
• CHEBI ID: 17045
• ATC CODE: N01AX13
• CHEMBL: 1234579
• Chemspider ID: 923
• KEGG ID: D00102
• Unique Ingredient Identifier: K50XQU1029
• Wikipedia Title: Nitrous_oxide

CALCULATED PROPERTIES

• Acid pKa: -1.1778402
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.04861584
• LogD (pH = 7.4): -0.048615865
• Log P: 0.065429784
• Molar Refractivity: 7.6 cm^3
• Polarizability: 2.6006408 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.15 g/100 ml (15 °C) in water; soluble in alcohol, ether, sulfuric acid
• Apperance: colorless gas
• Melting Point: -90.86 °C (182.29 K)
• Boiling Point: -88.48 °C (184.67 K)
• Flash Point: Non-flammable
• Density: 1.977 g/L (gas)
• Refractive Index: 1.330
• Vapor Pressure: 5150 kPa (20 °C)
• Partition Coefficient: 0.35
• Std enthalpy of formation: +82.05 kJ/mol
• Std molar entropy: 219.96 J K^-1 mol^-1

Safety Information

• RTECS: QX1350000
• UN Number: 1070 (compressed); 2201 (liquid)
• EU Index: Oxidant [O]
• NFPA704:
  

  0

  2

  0

  OX

Pharmacology Properties

• Admin Routes: Inhalation
• Excretion: Respiratory
• Half Life: 5 minutes
• Metabolism: 0.004%
• Pregnancy Category: C (US)