(3-methyl-3H-diazirin-3-yl)methanamine hydrochloride - ≥97% , CAS No.882516-45-2

CAS: 882516-45-2 Cat. No.: M1282813 Peso molecular: 121.57 Número EC: 819-474-2

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1(N=N1)CN.Cl
• IUPAC Name: (3-methyldiazirin-3-yl)methanamine;hydrochloride
• InChIKey: DLOYEXLJSCENBK-UHFFFAOYSA-N
• INCHI: 1S/C3H7N3.ClH/c1-3(2-4)5-6-3;/h2,4H2,1H3;1H
• Peso molecular: 121.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azacyclic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azacyclic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azacyclic compounds
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Diazirines Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Diazirine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azacyclic compounds. These are organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other.
• 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: 121.570 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 121.041 Da
• Monoisotopic Mass: 121.041 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 80.000
• 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

XLogP3