Acetamidina cloridrato - ≥97% , CAS No.124-42-5

CAS: 124-42-5 Cat. No.: A107218 Formula: C₂H₆N₂·HCl Peso molecolare: 94.54 Beilstein Registry Number: 3591762 Numero EC: 204-700-9

GRADE & PURITY ≥97%

Synonyms

Acetamidina, monocloruro | SN 4455 | Acetamidina cloridrato | Cloruro di 1-aminoetaniminio | AI3-52213 | C2H7ClN2 | J-005076 | NSC-7595 | WCQOBLXWLRDEQA-UHFFFAOYSA-N | Acetimidamide cloridrato | alfa-ammino-alfa-iminoetano idrochl

Storage

Argon charged,Room temperature

Shipped In

Normale

Panoramica

L'acetamidina cloridrato è un sale di amidina ed è stata studiata la sua conversione in 2,4,6-trimetil-sim-triazina.
L'acetamidina cloridrato è stata utilizzata per la preparazione della decarbossilectoina. È stata utilizzata anche nella sintesi dell'etil 4-(4-idrossifenil)metilidene-2-metil-5-osso-1-imidazolacetato.

Specifications

Sinonimi

Acetamidina, monocloruro | SN 4455 | Acetamidina cloridrato | Cloruro di 1-aminoetaniminio | AI3-52213 | C2H7ClN2 | J-005076 | NSC-7595 | WCQOBLXWLRDEQA-UHFFFAOYSA-N | Acetimidamide cloridrato | alfa-ammino-alfa-iminoetano idrochl

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 508811845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811845
• Sorrisi canonici: 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
• Isomeri SMILES: CC(=N)N.Cl
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Organonitrogen compounds
      • Subclass Amidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water.
• Sensibilità: Moisture sensitive.
• Punto di fusione (°C): 165-170°C
• Peso molecolare: 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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