ammonium hydrogen carbonate

• ChemBase ID: 125812
• Molecular Formular: CH5NO3
• Molecular Mass: 79.0553
• Monoisotopic Mass: 79.02694303
• SMILES: [O-]C(=O)O.[NH4+]
• Canonical SMILES: [O-]C(=O)O.[NH4+]
• InChI: InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
• InChIKey: ATRRKUHOCOJYRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium hydrogen carbonate
• IUPAC Traditional name: ammonium bicarbonate
• Synonyms: Ammonium bicarbonate; Ammonium hydrogen carbonate; Bicarbonate of ammonia; ammonium hydrogen carbonata; hartshora; AmBia; powdered baking ammonia; Ammonium bicarbonate; Ammonium hydrogencarbonate; 碳酸氢铵

Database IDs

• CAS Number: 1066-33-7
• EC Number: 213-911-5
• MDL Number: MFCD00012138
• Beilstein Number: 4329606
• Merck Index: 14497
• PubChem SID: 162220159
• PubChem CID: 14013
• Chemspider ID: 13395
• Unique Ingredient Identifier: 45JP4345C9
• Wikipedia Title: Ammonium_bicarbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 20.3353 cm^3
• Polarizability: 3.759794 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 11.9 g/100 mL (0 °C) ; 21.6 g/100 mL (20 °C) ; 36.6 g/100 mL (40 °C) in water; insoluble in methanol; Soluble in cold water but decomposed by hot water. Insoluble in alcohol and acetone
• Apperance: Powder
• Melting Point: 41.9 °C, 315 K, decomp.; ca 60°C dec.
• Flash Point: Non-flammable
• Density: 1.586; 1.586 g/cm^3

Safety Information

• RTECS: BO8600000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS06; GHS07
• Main Hazard: Decomposes to release ammonia
• NFPA704:
  

  0

  2

  0
• GHS Hazard statements: 302; H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A

Product Information

• Purity: 95+%; 98%