Ammonium acetate - ≥99.996% metals basis , CAS No.631-61-8

CAS: 631-61-8 Cat. No.: A112061 分子式: C₂H₇NO₂ 分子量: 77.08 Beilstein Registry Number: 4186741 EC番号: 211-162-9

グレード＆純度 ≥99.996% metals basis

Synonyms

AMMONIUM ACETATE|631-61-8|Acetic acid, ammonium salt|Azanium Acetate|acetic acid ammonium salt|ammoniumacetate|azanium;acetate|ammonium ethanoate|AcONH4|CH3COONH4|CH3CO2NH4|UNII-RRE756S6Q2|HSDB 556|RRE756S6Q2|NH4OAc|AMMONIUM ACETICUM|EINECS 211-162-9|AI3-

Storage

Desiccated,Room temperature

Shipped In

Normal

仕様

同義語

AMMONIUM ACETATE | 631-61-8 | Acetic acid, ammonium salt | Azanium Acetate | acetic acid ammonium salt | ammoniumacetate | azanium;acetate | ammonium ethanoate | AcONH4 | CH3COONH4 | CH3CO2NH4 | UNII-RRE756S6Q2 | HSDB 556 | RRE756S6Q2 | NH4OAc | AMMONIUM ACETICUM | EINECS 211-162-9 | AI3-

仕様と純度

≥99.996% metals basis

保管条件

Desiccated,Room temperature

入荷

Normal

純度

≥99.996% metals basis

名前と識別子

パブケム・シド

528769500

カノニカル・スマイル

CC(=O)[O-].[NH4+]

IUPAC Name

azanium;acetate

InChIKey

USFZMSVCRYTOJT-UHFFFAOYSA-N

INCHI

1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3

異性体SMILES

CC(=O)[O-].[NH4+]

WGKドイツ

1

RTECS

AF3675000

分子量

77.08

Beilstein

4186741

Reaxy-Rn

10774525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10774525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: ammonium salt - acetate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 融点（°C）: 114°C
• 分子量: 77.080 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 77.0477 Da
• Monoisotopic Mass: 77.0477 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 25.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3