ethanaminium; nitrooxidane

• ChemBase ID: 127336
• Molecular Formular: C2H8N2O3
• Molecular Mass: 108.09652
• Monoisotopic Mass: 108.05349213
• SMILES: CC[NH3+].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].CC[NH3+]
• InChI: InChI=1S/C2H7N.NO3/c1-2-3;2-1(3)4/h2-3H2,1H3;/q;-1/p+1
• InChIKey: AHRQMWOXLCFNAV-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanaminium; nitrooxidane
• IUPAC Traditional name: ethylammonium nitronate
• Synonyms: Ethylammonium nitrate

Database IDs

• CAS Number: 22113-86-6
• PubChem SID: 162221657
• PubChem CID: 6432248
• Chemspider ID: 4937507
• Wikipedia Title: Ethylammonium_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: 12°C
• Boiling Point: 240°C
• Density: 1.261 g/ml
• Heat Capacity: 206 J K^-1 mol^-1

Safety Information

• Risk Statements: R36/37/38
• Safety Statements: S24/25 S37/39
• Main Hazard: Irritant