1H-1,2,3-Triazole-5-methanamine - ≥95% , CAS No.118724-05-3

CAS: 118724-05-3 Cat. No.: H332069 Peso molecular: 98.11 Número EC: 808-365-5

GRADE & PURITY ≥95%

Synonyms

AKOS023554210 | D77245 | (1H-1,2,3-triazol-4-yl)Methanamine | 2H-triazol-4-ylmethanamine | AKOS016908653 | 1H-1,2,3-Triazole-4-methanamine | 4-aminomethyl-1,2,3-triazole | MFCD09701416 | 1H-[1,2,3]Triazol-4-ylmethylamine HCl | EN300-98429 | 1H-1,2,3-triaz

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS023554210 | D77245 | (1H-1, 2, 3-triazol-4-yl)Methanamine | 2H-triazol-4-ylmethanamine | AKOS016908653 | 1H-1, 2, 3-Triazole-4-methanamine | 4-aminomethyl-1, 2, 3-triazole | MFCD09701416 | 1H-[1, 2, 3]Triazol-4-ylmethylamine HCl | EN300-98429 | 1H-1, 2, 3-triaz

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488198640
• Sonrisas canónicas: C1=NNN=C1CN
• IUPAC Name: 2H-triazol-4-ylmethanamine
• InChIKey: HKFJQCFGHPMXLQ-UHFFFAOYSA-N
• INCHI: 1S/C3H6N4/c4-1-3-2-5-7-6-3/h2H,1,4H2,(H,5,6,7)
• Isómeros SMILES: C1=NNN=C1CN
• Peso molecular: 98.11
• Reaxy-Rn: 29253687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29253687&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Triazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Heteroaromatic compound - 1,2,3-triazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

• Peso molecular: 98.110 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 98.0592 Da
• Monoisotopic Mass: 98.0592 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.900
• 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