nitroamine

• ChemBase ID: 128612
• Molecular Formular: H2N2O2
• Molecular Mass: 62.02808
• Monoisotopic Mass: 62.01162731
• SMILES: N[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)N
• InChI: InChI=1S/H2N2O2/c1-2(3)4/h1H2
• InChIKey: SFDJOSRHYKHMOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nitroamine
• IUPAC Traditional name: nitric amide
• Synonyms: nitramine; Nitramide

Database IDs

• CAS Number: 7782-94-7
• PubChem SID: 162222919
• PubChem CID: 24534
• CHEBI ID: 29273
• Chemspider ID: 22941
• Wikipedia Title: Nitramide

CALCULATED PROPERTIES

• Acid pKa: 13.202819
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5464622
• LogD (pH = 7.4): -0.5464628
• Log P: -0.5464622
• Molar Refractivity: 12.0084 cm^3
• Polarizability: 4.00445 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: colourless solid
• Melting Point: 72-75 °C