Acetamidine hydrochloride - ≥97% , CAS No.124-42-5

CAS: 124-42-5 Cat. No.: A107218 Summenformel: C₂H₆N₂·HCl Molekulargewicht: 94.54 Beilstein Registry Number: 3591762 EG-Nummer: 204-700-9

GRADE & PURITY ≥97%

Synonyms

Acetamidine, monohydrochloride | SN 4455 | Acetamidine hydrochloride | 1-aminoethaniminium chloride | AI3-52213 | C2H7ClN2 | J-005076 | NSC7595 | NSC-7595 | WCQOBLXWLRDEQA-UHFFFAOYSA-N | Acetimidamide hydrochloride | alpha-Amino-alpha-iminoethane hydrochl

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Acetamidine hydrochloride is an amidine salt and its conversion to 2,4,6-trimethyl-sym-triazine has been studied.
Acetamidine hydrochloride was used in the preparation of decarboxyectoine. It was also used in the synthesis of ethyl 4-(4-hydroxyphenyl)methylidene-2-methyl-5-oxo-1-imidazolacetate.

Specifications

Synonyme

Acetamidine, monohydrochloride | SN 4455 | Acetamidine hydrochloride | 1-aminoethaniminium chloride | AI3-52213 | C2H7ClN2 | J-005076 | NSC7595 | NSC-7595 | WCQOBLXWLRDEQA-UHFFFAOYSA-N | Acetimidamide hydrochloride | alpha-Amino-alpha-iminoethane hydrochl

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 508811845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811845
• Kanonisches Lächeln: CC(=N)N.Cl
• IUPAC Name: ethanimidamide;hydrochloride
• InChIKey: WCQOBLXWLRDEQA-UHFFFAOYSA-N
• INCHI: 1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
• Isomere SMILES: CC(=N)N.Cl
• WGK Deutschland: 3
• Molekulargewicht: 94.54
• Beilstein: 3591762
• Reaxy-Rn: 3591762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3591762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxamidines
• Alternative Parents: Carboximidamides Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboximidamide - Carboxylic acid amidine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carboxamidines. These are carboxylic acid derivatives containing the amidine group.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 165-170°C
• Molekulargewicht: 94.540 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 94.0298 Da
• Monoisotopic Mass: 94.0298 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 31.000
• 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

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