Etoformin Hydrochloride - ≥95% , CAS No.53597-26-5

CAS: 53597-26-5 Cat. No.: E1255453 Formule: C₈H₂₀ClN₅ Poids moléculaire: 221.73

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CCCCN=C(NCC)N=C(N)N.Cl
• IUPAC Name: 2-butyl-1-(diaminomethylidene)-3-ethylguanidine;hydrochloride
• InChIKey: KGKMETLQCMSQNT-UHFFFAOYSA-N
• INCHI: 1S/C8H19N5.ClH/c1-3-5-6-12-8(11-4-2)13-7(9)10;/h3-6H2,1-2H3,(H5,9,10,11,12,13);1H
• Poids moléculaire: 221.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Biguanides
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Biguanide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 221.730 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 221.141 Da
• Monoisotopic Mass: 221.141 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 181.000
• 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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