carbonic acid amine

• ChemBase ID: 102963
• Molecular Formular: CH5NO3
• Molecular Mass: 79.0553
• Monoisotopic Mass: 79.02694303
• SMILES: N.OC(=O)O
• Canonical SMILES: OC(=O)O.N
• 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: carbonic acid amine
• IUPAC Traditional name: soda amine
• Synonyms: Ammonium Hydrogen Carbonate; Acid Ammonium carbonate; Monoammonium carbonate; AMMONIUM BICARBONATE; Ammonium bicarbonate; 碳酸氢铵; 重碳酸铵

Database IDs

• CAS Number: 1066-33-7
• EC Number: 213-911-5
• MDL Number: MFCD00012138
• Beilstein Number: 4329606
• PubChem SID: 24847069; 162089360; 24865585; 24846457; 24891060
• PubChem CID: 61507

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 9.4982 cm^3
• Polarizability: 3.880898 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 m at 20 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless
• Melting Point: 107.5 °C
• Density: 1.586 g/cm^3
• Vapor Pressure: 67 hPa at 20 °C
• Vapor Density: 2.7 (vs air)
• Absorption Wavelength: λ: 260 nm Amax: ≤0.030; λ: 280 nm Amax: ≤0.020
• pH: 7.0-8.5 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BO8600000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22; R:51/53
• Safety Statements: S:61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0%; ≥99.5% (T); 99-101%
• Grade: eluent additive for LC-MS; puriss.; purum p.a.; ReagentPlus®; SAJ first grade
• Suitability: passes test for LC-MS
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.01% non-volatile matter; ≤0.35% anticaking agent (MgCO3); insoluble matter, passes filter test; residual solvents, complies; tar like substances, complies
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Hg: ≤1 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤500 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤30 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfide (S2-): in accordance
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: meets analytical specification of Ph.Eur., BP, E 503
• λ: 1 M in H2O
• Product Line: BioUltra
• Linear Formula: NH4HCO3

DETAILS

MP Biomedicals - 02150107

Crystalline

Sigma Aldrich - 09830

Application
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Ammonium bicarbonate can be used to study biological buffers. Ammonium bicarbonate has been used in a study that demonstrated that ammonium bicarbonate salts, which can be regenerated using low-temperature waste heat, can also produce sufficient voltage for hydrogen gas generation in a microbial reverse-electrodialysis electrolysis cells. Ammonium bicarbonate has also been used in a study that developed a fast and sensitive method for the simultaneous determination of Sudan dyes in food samples using partial filling micellar electrokinectic chromatography-mass spectrometry.
Other Notes
Sample loading solution for the gas-phase sequenator1; Removable eluant in ion-exchange chromatography2; Buffer component for the digestion of tRNA3.

Sigma Aldrich - A6141

Packaging
1 kg in poly bottle
25, 500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC