ammonium acetate

• ChemBase ID: 102222
• Molecular Formular: C2H7NO2
• Molecular Mass: 77.08248
• Monoisotopic Mass: 77.04767847
• SMILES: [NH4+].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[NH4+]
• InChI: InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
• InChIKey: USFZMSVCRYTOJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium acetate
• IUPAC Traditional name: ammonium acetate
• Synonyms: Ammonium acetate; Acetic acid ammonium salt; AMMONIUM ACETATE; AMMONIUM ACETATE ULTRA PURE; AMMONIUM ACETATE ANHYDROUS ACS REAGENT GRADE; AMMONIUM ACETATE 7.5 M SOLUTION; AMMONIUM ACETATE, HPLC GRADE; Ammonium acetate, ACS; 醋酸铵; 醋酸铵, ACS

Database IDs

• CAS Number: 631-61-8
• EC Number: 211-162-9
• MDL Number: MFCD00013066
• Beilstein Number: 4186741
• Merck Index: 14495
• PubChem SID: 162088506
• PubChem CID: 517165

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in cold water, approximately 148g/100ml. Decomposes in hot water. Soluble in methanol approximately 7.9g/100ml
• Apperance: Crystalline
• Melting Point: 114 °C (237 °F); 114°C; ca 114°C dec.
• Boiling Point: dec.; Decomposes
• Flash Point: 136°C(277°F)
• Density: 1.17; 1.17 (water = 1)

Safety Information

• Storage Condition: 2-8°C; Room Temperature (15-30°C), Desiccate; Room Temperature (15-30°C), Desiccate, Store Under Nitrogen
• Storage Warning: Hygroscopic
• RTECS: AF3675000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077; 3082
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 36/37/38; R:36/37/38-58
• Safety Statements: 26-37; S:20-25-26-29-37/39-61
• EU Classification: M6; M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: ≥97%; ~98%; ~99%; 97%; 97.0% min
• Grade: ACS; HPLC; REAGENT

DETAILS

MP Biomedicals - 02198759

Purity: ~98%
7.5 M Solution
Prepared in 18 megohm water and 0.2 μm filtered.

MP Biomedicals - 02193848

Ultra Pure Grade
Purity: >97%

MP Biomedicals - 02100651

Crystalline
Purity: ~99%

MP Biomedicals - 02194000

Purity: ~98%
Molecular Biology Reagent

MP Biomedicals - 02191404

ACS Reagent Grade
Crystalline

REFERENCES

• Sambrook, J., et al., Molecular Cloning: A Laboratory Manual, CSHL B.10, (1989).