N-[amino(imino)methyl]-4-methylpiperidine-1-carboximidamide , CAS No.737694-65-4

CAS: 737694-65-4 Cat. No.: N993191 Peso molecular: 183.250

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC1CCN(CC1)C(=N)N=C(N)N
• IUPAC Name: N-(diaminomethylidene)-4-methylpiperidine-1-carboximidamide
• InChIKey: GOEQXDWYNXSHRQ-UHFFFAOYSA-N
• INCHI: 1S/C8H17N5/c1-6-2-4-13(5-3-6)8(11)12-7(9)10/h6H,2-5H2,1H3,(H5,9,10,11,12)
• Peso molecular: 183.250

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Biguanides
• Alternative Parents: Piperidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Biguanide - Piperidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Imine - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 183.250 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.148 Da
• Monoisotopic Mass: 183.148 Da
• Topological Polar Surface Area: 91.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 211.000
• 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: 1