2-Imidazol-1-yl-ethylamine - ≥95% , CAS No.5739-10-6

CAS: 5739-10-6 Cat. No.: I304034 Peso molecular: 111.15 Número EC: 815-875-1

GRADE & PURITY ≥95%

Synonyms

2-imidazol-1-ylethanamine | AM20100404 | BP-10773 | 2-(1H-imidazol-1-yl)ethan-1-amine | YCIRHAGYEUJTFH-UHFFFAOYSA-N | BB 0219897 | N-(2-aminoethyl)-imidazole | AC7946 | 2-(1H-IMIDAZOL-1-YL)-1-ETHANAMINE | ABMYEXAYWZJVOV-UHFFFAOYSA-N | AC-20616 | b-imidazo

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

2-imidazol-1-ylethanamine | AM20100404 | BP-10773 | 2-(1H-imidazol-1-yl)ethan-1-amine | YCIRHAGYEUJTFH-UHFFFAOYSA-N | BB 0219897 | N-(2-aminoethyl)-imidazole | AC7946 | 2-(1H-IMIDAZOL-1-YL)-1-ETHANAMINE | ABMYEXAYWZJVOV-UHFFFAOYSA-N | AC-20616 | b-imidazo

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504758678
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758678
• Sonrisas canónicas: C1=CN(C=N1)CCN
• IUPAC Name: 2-imidazol-1-ylethanamine
• InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N
• INCHI: 1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2
• Isómeros SMILES: C1=CN(C=N1)CCN
• Número ONU: 2735
• Grupo de embalaje: III
• Peso molecular: 111.15
• Reaxy-Rn: 109882
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109882&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: 2-arylethylamines
• Alternative Parents: N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-arylethylamine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic 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

Propiedades químicas y físicas

• Punto de inflamación (°C): 125°C
• Punto de ebullición (°C): 283°C
• Peso molecular: 111.150 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 111.08 Da
• Monoisotopic Mass: 111.08 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.700
• 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