acetic acid amine

• ChemBase ID: 125809
• Molecular Formular: C2H7NO2
• Molecular Mass: 77.08248
• Monoisotopic Mass: 77.04767847
• SMILES: O=C(O)C.N
• Canonical SMILES: CC(=O)O.N
• 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: acetic acid amine
• IUPAC Traditional name: acetic acid amine
• Synonyms: Water with 0.1% ammonium acetate; Ammonium acetate; Ammonium acetate solution; Ammonium acetate; 乙酸铵 溶液; 乙酸铵

Database IDs

• CAS Number: 631-61-8
• EC Number: 211-162-9; 231-791-2
• MDL Number: MFCD00013066
• Beilstein Number: 4186741
• PubChem SID: 24861435; 24846390; 24891197; 24863028; 24886554; 24855032; 162220156; 24890687; 24886586; 24859352; 24890559; 24854288; 24873052; 24850734; 24891202; 24846389; 24867007
• PubChem CID: 12432; 517165
• CHEBI ID: 62947
• Chemspider ID: 11925
• Unique Ingredient Identifier: RRE756S6Q2
• Wikipedia Title: Ammonium_acetate

CALCULATED PROPERTIES

• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 12.6437 cm^3
• Polarizability: 5.030792 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2242727

PROPERTIES

Physical Property

• Solubility: 148 g/100 ml (4 °C) in water; 7.89 g/100 mL (15 °C) in methanol; H2O: soluble0.1 g/mL at 25 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless
• Apperance: crystalline; solid; white solid crystals ; deliquescent
• Melting Point: 110-112 °C (dec.)(lit.); 114°C
• Boiling Point: decomposes
• Density: 1.07 g/mL at 20 °C; 1.17 g/cm^3
• Absorption Wavelength: λ: 250 nm Amax: ≤0.05; λ: 260 nm Amax: ≤0.015; λ: 260 nm Amax: ≤0.04; λ: 260 nm Amax: 0.015; λ: 270 nm Amax: ≤0.03; λ: 280 nm Amax: ≤0.010; λ: 280 nm Amax: ≤0.02; λ: 280 nm Amax: 0.01; λ: 280 nm Amax: 0.010; λ: 500 nm Amax: ≤0.02
• pH: 6.2-7.2 (25 °C, 1 M in H2O); 6.2-7.5 (25 °C, 1 M in H2O); 6.5-7.5 (20 °C, 10% in H2O); 6.5-7.5 (25 °C, 1 M in H2O); 6.5-7.5 (25 °C, 50 mg/mL in H2O); 6.7-7.3 (25 °C, 5%); 6.7-7.3 (25 °C, 50 mg/mL in H2O); 6.8-7.2 (20 °C)
• Transmittance: 210 nm, ≥20%; 230 nm, ≥90%; 254 nm, ≥99%

Safety Information

• RTECS: AF3675000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; nwg
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

  1
• GHS Hazard statements: 315, 319, 335; H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97%; ≥97.0%; ≥97.0% (T); ≥98%; ≥98.0% (calc. based on dry substance, T); ≥99.0%; ≥99.0% (calc. based on dry substance, T); ≥99.0% (calc. on dry substance, T); ≥99.0% (on dry substanace, T); ≥99.99% trace metals basis; ≥99.9995% (metals basis); 98%; 99.999% trace metals basis
• Concentration: ~5 M in H2O; 50 % (w/v); 7.5 M
• Grade: ACS reagent; ACS reagent, reag. Ph. Eur.; eluent additive for LC-MS; for copper determination; for HPLC; for luminescence; for mass spectrometry; for molecular biology; JIS special grade; LC-MS CHROMASOLV®; puriss.; puriss. p.a.; purum p.a.; reagent grade; SAJ first grade; technical; TraceSELECT®
• Suitability: corresponds for filter test; corresponds to standard for RP gradient test; in accordance for LC-MS; in accordance for luminescence; in accordance for suitability for UHPLC-MS; LC-MS tested; passes test for LC-MS; suitable for iron determination
• Ignition Residue: ≤0.01%; ≤0.01% (as SO4); ≤0.02% (as SO4); ≤0.05% (as SO4)
• Impurities: <100 ppm total metallic impurities; ≤0.0002% heavy metals (as Pb); ≤0.0005% heavy metals (as Pb); ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.005% insolubles; ≤0.005% KMnO4 red. matter (as HCOOH); ≤0.005% KMnO4-reducing matter (as O); ≤0.005% KMnO4-reducing substances; ≤0.1% Insoluble matter; ≤1% water; ≤2% water; ≤2% water (Karl Fischer); ≤50 mg/kg KMnO4 red. matter (as O); 0.005% insoluble matter; DNases, none detected; insoluble matter, passes filter test; phosphatases, none detected; proteases, none detected; RNases, none detected
• Cation Traces: Ag: ≤0.01 mg/kg; Al: ≤0.0005%; Al: ≤0.05 mg/kg; Al: ≤1 mg/kg; Al: ≤5 mg/kg; As: ≤0.01 mg/kg; As: ≤0.1 mg/kg; Au: ≤0.01 mg/kg; Ba: ≤0.01 mg/kg; Ba: ≤1 mg/kg; Ba: ≤5 mg/kg; Be: ≤0.005 mg/kg; Bi: ≤0.01 mg/kg; Bi: ≤1 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.0005%; Ca: ≤0.5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤10 ppb; Ca: ≤2 mg/kg; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤0.005 mg/kg; Cd: ≤1 mg/kg; Cd: ≤2 ppm; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Ce: ≤0.01 mg/kg; Co: ≤0.005 mg/kg; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Co: ≤5 ppm; Co: ≤50 mg/kg; Cr: ≤0.05 mg/kg; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cr: ≤5 ppm; Cs: ≤0.01 mg/kg; Cu: ≤0.0005%; Cu: ≤0.01 mg/kg; Cu: ≤1 mg/kg; Cu: ≤2 ppm; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Dy: ≤0.01 mg/kg; Er: ≤0.01 mg/kg; Eu: ≤0.01 mg/kg; Fe: ≤0.0005%; Fe: ≤0.2 mg/kg; Fe: ≤1 mg/kg; Fe: ≤2 mg/kg; Fe: ≤2 ppm; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; Ga: ≤0.005 mg/kg; Gd: ≤0.01 mg/kg; Ge: ≤0.01 mg/kg; heavy metals (as Pb): ≤5 ppm; heavy metals: ≤5 ppm; Hf: ≤0.01 mg/kg; Hg: ≤0.005 mg/kg; Ho: ≤0.01 mg/kg; In: ≤0.005 mg/kg; Ir: ≤0.01 mg/kg; K: ≤0.005%; K: ≤0.2 mg/kg; K: ≤0.5 mg/kg; K: ≤100 mg/kg; K: ≤20 mg/kg; K: ≤5 mg/kg; K: ≤50 mg/kg; K: ≤50 ppm; La: ≤0.01 mg/kg; Li: ≤0.01 mg/kg; Li: ≤1 mg/kg; Li: ≤5 mg/kg; Lu: ≤0.01 mg/kg; Mg: ≤0.0005%; Mg: ≤0.1 mg/kg; Mg: ≤0.5 mg/kg; Mg: ≤1 mg/kg; Mg: ≤2 ppm; Mg: ≤5 mg/kg; Mn: ≤0.01 mg/kg; Mn: ≤1 mg/kg; Mn: ≤5 mg/kg; Mn: ≤5 ppm; Mo: ≤0.01 mg/kg; Mo: ≤1 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤0.5 mg/kg; Na: ≤100 mg/kg; Na: ≤2 mg/kg; Na: ≤20 mg/kg; Na: ≤5 mg/kg; Na: ≤50 mg/kg; Na: ≤50 ppm; Nb: ≤0.01 mg/kg; Nd: ≤0.01 mg/kg; Ni: ≤0.01 mg/kg; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Ni: ≤5 ppm; Ni: ≤50 mg/kg; Os: ≤0.01 mg/kg; Pb: ≤0.001%; Pb: ≤0.01 mg/kg; Pb: ≤1 mg/kg; Pb: ≤2 ppb; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Pd: ≤0.01 mg/kg; Pr: ≤0.01 mg/kg; Pt: ≤0.01 mg/kg; Rb: ≤0.01 mg/kg; Re: ≤0.01 mg/kg; Rh: ≤0.01 mg/kg; Ru: ≤0.01 mg/kg; Sb: ≤0.01 mg/kg; Sc: ≤0.01 mg/kg; Se: ≤0.05 mg/kg; Sm: ≤0.01 mg/kg; Sn: ≤0.01 mg/kg; Sr: ≤0.01 mg/kg; Sr: ≤1 mg/kg; Sr: ≤5 mg/kg; Ta: ≤0.01 mg/kg; Tb: ≤0.01 mg/kg; Te: ≤0.01 mg/kg; Th: ≤0.01 mg/kg; Ti: ≤0.01 mg/kg; Tl: ≤0.01 mg/kg; Tm: ≤0.01 mg/kg; U: ≤0.01 mg/kg; V: ≤0.01 mg/kg; W: ≤0.01 mg/kg; Y: ≤0.01 mg/kg; Yb: ≤0.01 mg/kg; Zn: <1 mg/kg; Zn: ≤0.0005%; Zn: ≤0.05 mg/kg; Zn: ≤1 mg/kg; Zn: ≤2 ppm; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg; Zr: ≤0.01 mg/kg
• Antion Traces: chloride (Cl-): ≤0.0005%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤200 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤5 ppm; chloride (Cl-): ≤50 mg/kg; nitrate (NO3-): ≤0.001%; nitrate (NO3-): ≤10 mg/kg; sulfate (SO42-): ≤0.001%; sulfate (SO42-): ≤10 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Contains: 0.093-0.107 % (w/w) ammonium acetate as additive
• Foreign Activity: DNase and RNase, none detected; DNase, RNase and protease, none detected
• Sterility: 0.2 μm filtered
• Shelf Life: (limited shelf life, expiry date on the label); (limited shelf life,expiry date on the label)
• pH Range: 6.7 - 7.3
• Quality Level: PREMIUM
• λ: 1 M in H2O; 10 % in H2O
• Product Line: BioUltra
• abs.: HPLC-gradient/210 nm ≤50 mAU; HPLC-gradient/254 nm ≤10 mAU
• Linear Formula: CH3CO2NH4; CH3COONH4
• Empirical Formula (Hill Notation): H2O

DETAILS

Sigma Aldrich - A2706

Preparation Note
在 18 兆欧的水中制备

Sigma Aldrich - 372331

Packaging
10, 100 g in poly bottle

Sigma Aldrich - 09691

Application
Ammonium acetate solution can be used to study molecular biology, biological buffers, reagents and DNA and RNA purification. Ammonium acetate solution has been used to study pharmacokinetic analysis of α and β epimers of glycyrrhetinic acid in rat plasma. Ammonium acetate solution has also been used in a study to develop a method for the simultaneous determination of aristolochic acids A and B in some Chinese herbals and traditional Chinese patent medicines.

Sigma Aldrich - 09688

Other Notes
Alternative to sodium acetate in ethanol precipitation of nucleic acids. Prevents precipitation of deoxyribonucleoside triphosphates.; Useful for removal of untreated triphosphates from the products of reverse transcriptase, DNA polymerase or terminal polymerase-catalyzed reactions1.
Application
Ammonium acetate can be used to study molecular biology, reagents, protein structural analysis, proteomics and x-ray crystallography. Ammonium acetate has been used in a study to develop an easy, rapid, low-cost and effective cetyltrimethylammonium bromide (CTAB)-ammonium acetate method for high-quality RNA isolation from polysaccharide- and polyphenol-rich cotton tissues. Ammonium acetate has also been used in a study to develop and validate a simple and rapid high-performance liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) method for the determination of 4-p-anisamidobutyric acid (ABA; or N-anysoyl-γ-aminobutiryc acid, N-anisoyl-GABA), a major active metabolite of aniracetam, in human plasma.

Sigma Aldrich - 09689

Other Notes
Elution buffer in separation of proteins by gel filtration, ammonium acetate is volatile and can be removed during lyophilization1.
Application
Ammonium acetate can be used to study x-ray crystallography, optimization reagents, protein structural analysis and proteomics. Ammonium acetate has been used in a study to develop a novel and simple high-performance liquid chromatography method for the simultaneous determination of two selective serotonin reuptake inhibitors and two serotonin-norepinephrine reuptake inhibitors in alternative samples of toxicological interest such as hair, nail clippings, and cerebrospinal fluid.

Sigma Aldrich - 34674

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 73432

Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 431311

General description
Meets ACS reagent specifications.
Packaging
50, 250 g in poly bottle

Sigma Aldrich - 238074

Packaging
12 kg in fiber drum
25, 500 g in poly bottle
2.5 kg in poly bottle

Sigma Aldrich - A7262

包装
2.5 kg in poly bottle
5 kg in poly drum
500 g in poly bottle