acetic acid amine

• ChemBase编号: 125809
• 分子式: C2H7NO2
• 平均质量: 77.08248
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: acetic acid amine
• IUPAC传统名: acetic acid amine
• 别名: 乙酸铵 溶液; 乙酸铵; Water with 0.1% ammonium acetate; Ammonium acetate; Ammonium acetate solution; Ammonium acetate

登记号

• CAS号: 631-61-8
• EC号: 211-162-9; 231-791-2
• MDL号: MFCD00013066
• Beilstein号: 4186741
• PubChem SID: 24846390; 24891197; 24854288; 24873052; 24850734; 24891202; 24861435; 24859352; 24890559; 24863028; 24886554; 24855032; 162220156; 24890687; 24886586; 24846389; 24867007
• PubChem CID: 517165; 12432
• CHEBI ID: 62947
• Chemspider ID: 11925
• 美国药典/FDA物质标识码: RRE756S6Q2
• 维基百科标题: Ammonium_acetate

理论计算性质

• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• 摩尔折射率: 12.6437 cm^3
• 极化性: 5.030792 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• Acid pKa: 4.54344
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.2242727

分子性质

理化性质

• 溶解度: 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
• 外观: crystalline; solid; white solid crystals ; deliquescent
• 熔点: 110-112 °C (dec.)(lit.); 114°C
• 沸点: decomposes
• 密度: 1.07 g/mL at 20 °C; 1.17 g/cm^3
• 紫外吸收波长: 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值: 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)
• 透光率: 210 nm, ≥20%; 230 nm, ≥90%; 254 nm, ≥99%

安全信息

• RTECS编号: AF3675000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1; nwg
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• NFPA704:
  

  1

  2

  1
• GHS危险声明: 315, 319, 335; H315-H319-H335
• GHS警示性声明: 261, 305+351+338; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥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
• 浓度: ~5 M in H2O; 50 % (w/v); 7.5 M
• 级别: 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®
• 适用性: 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
• 燃烧残渣: ≤0.01%; ≤0.01% (as SO4); ≤0.02% (as SO4); ≤0.05% (as SO4)
• 杂质: <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
• 痕量阳离子: 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
• 痕量阴离子: 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
• 其他组分: 0.093-0.107 % (w/w) ammonium acetate as additive
• Foreign Activity: DNase and RNase, none detected; DNase, RNase and protease, none detected
• 无菌消毒: 0.2 μm filtered
• 有效期: (limited shelf life, expiry date on the label); (limited shelf life,expiry date on the label)
• pH范围: 6.7 - 7.3
• 产品质量级别: PREMIUM
• λ: 1 M in H2O; 10 % in H2O
• 产品线: BioUltra
• abs.: HPLC-gradient/210 nm ≤50 mAU; HPLC-gradient/254 nm ≤10 mAU
• 线性分子式: CH3CO2NH4; CH3COONH4
• Empirical Formula (Hill Notation): H2O

详细说明

Sigma Aldrich - A2706

Preparation Note
在 18 兆欧的水中制备

Sigma Aldrich - 372331

包装
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

包装
2.5 L in glass bottle
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 73432

法律信息
TraceSELECT 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 431311

General description
符合 ACS 的试剂规范。
包装
50, 250 g in poly bottle

Sigma Aldrich - 238074

包装
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