Formamidine acetate - ≥99% , CAS No.3473-63-0

CAS: 3473-63-0 Cat. No.: F100557 Molecular Weight: 104.11 Beilstein Registry Number: 3563488 EC Number: 222-442-5

GRADE & PURITY ≥99%

Synonyms

Formamidine acetate salt | Formamidinium acetate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application

Formamidine acetate is used as an intermediate in the synthesis of active pharmaceutical ingredients. It is also used as a condensing agent for the preparation of pyrimidine and imidazole heterocycles. 

Specifications

Synonyms

Formamidine acetate salt | Formamidinium acetate

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(=O)O.C(=N)N
• IUPAC Name: acetic acid;methanimidamide
• InChIKey: XPOLVIIHTDKJRY-UHFFFAOYSA-N
• INCHI: 1S/C2H4O2.CH4N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1H,(H3,2,3)
• Isomeric SMILES: CC(=O)O.C(=N)N
• WGK Germany: 2
• Molecular Weight: 104.11
• Beilstein: 3563488
• Reaxy-Rn: 3563488
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3563488&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Formamidines Carboximidamides Carboxamidines Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Imine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: 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: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in water and hot alcohol.
• Sensitivity: Hygroscopic.
• Melt Point(°C): 162-164°C
• Molecular Weight: 104.110 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 104.059 Da
• Monoisotopic Mass: 104.059 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 41.300
• 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

References

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