(R)-(+)-2-(α-metilmetanamina)-1H-benzimidazol - ≥98% , CAS No.163959-79-3

CAS: 163959-79-3 Cat. No.: R281543 Peso molecular: 161.2 Número EC: 813-072-0 PubChem CID: 693233

GRADE & PURITY ≥98%

Synonyms

(R)-1-(1H-Benzo[d]imidazol-2-il)etan-1-amina | (R)-(+)-2-(a-Metilmetanamina)-1H-benzimidazol | (R)-alfametil-1H-benzimidazol-2-metanamina | (1S)-1-(1H-1,3-benzodiazol-2-il)etan-1-amina | SCHEMBL8330903 | (R)-(+)-2-(-metilmetanamina)-1H-benzimi

Storage

Room temperature

Specifications

Sinónimos

(R)-1-(1H-Benzo[d]imidazol-2-il)etan-1-amina | (R)-(+)-2-(a-Metilmetanamina)-1H-benzimidazol | (R)-alfametil-1H-benzimidazol-2-metanamina | (1S)-1-(1H-1, 3-benzodiazol-2-il)etan-1-amina | SCHEMBL8330903 | (R)-(+)-2-(-metilmetanamina)-1H-benzimi

Especificaciones y pureza

≥98%

Información jurídica

Vendido bajo licencia de Enantiotech únicamente con fines de investigación. PCT/CN2008/073648, CN 200810038929. Componente del kit de ligando BIMAH de Enantiotech.

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C1=NC2=CC=CC=C2N1)N
• IUPAC Name: (1R)-1-(1H-benzimidazol-2-yl)ethanamine
• InChIKey: NXSULSSADMIWQD-ZCFIWIBFSA-N
• INCHI: 1S/C9H11N3/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
• Isómeros SMILES: C[C@H](C1=NC2=CC=CC=C2N1)N
• PubChem CID: 693233
• Peso molecular: 161.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Aralkylamines Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aralkylamine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

• Sensibilidad: air sensitive
• Punto de fusión (°C): 188-190°C
• Peso molecular: 161.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.095 Da
• Monoisotopic Mass: 161.095 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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