(2H4)azanium bromide

• ChemBase ID: 148399
• Molecular Formular: BrN
• Molecular Mass: 93.9107
• Monoisotopic Mass: 92.92141101
• SMILES: [NH4+].[Br-]
• Canonical SMILES: [NH4+].[Br-]
• InChI: InChI=1S/BrH.H3N/h1H;1H3
• InChIKey: SWLVFNYSXGMGBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄)azanium bromide
• IUPAC Traditional name: (^2H₄)azanium bromide
• Synonyms: Ammonium-d4 bromide; 溴化铵-d4

Database IDs

• CAS Number: 12265-06-4
• MDL Number: MFCD00074831
• PubChem SID: 24850586; 162242575
• PubChem CID: 16211395

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: 452 °C (subl.)(lit.)
• Density: 2.528 g/mL at 25 °C
• Mass Shift: M+4

Safety Information

• German water hazard class: 2
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 101.89 by atom % calculation
• Linear Formula: ND4Br

DETAILS

Sigma Aldrich - 176575

Packaging
5 g in glass bottle