(2H4)azanium nitrate

• ChemBase ID: 135340
• Molecular Formular: H4N2O3
• Molecular Mass: 80.04336
• Monoisotopic Mass: 80.022192
• SMILES: [NH4+].[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[NH4+]
• InChI: InChI=1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1
• InChIKey: DVARTQFDIMZBAA-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄)azanium nitrate
• IUPAC Traditional name: (^2H₄)azanium nitrate
• Synonyms: Ammonium-d4 nitrate; 硝酸铵-d4

Database IDs

• MDL Number: MFCD04118257
• PubChem SID: 162229614
• PubChem CID: 12025425

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 16.3149 cm^3
• Polarizability: 2.1934314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 °C(lit.)
• Boiling Point: 210 °C(lit.)
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1942
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• RID/ADR: UN 1942 5.1/PG 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 83.99 by atom % calculation
• Linear Formula: ND4NO3

DETAILS

Sigma Aldrich - 614297

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.