(6-bromoimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine hydrochloride , CAS No.1134570-17-4

CAS: 1134570-17-4 Cat. No.: B1306340 Molecular Weight: 290.6 PubChem CID: 24213739

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CN(C)CC1=CN=C2N1C=C(C=C2)Br.Cl
• IUPAC Name: 1-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine;hydrochloride
• InChIKey: YDYMEXAWBPZGDR-UHFFFAOYSA-N
• INCHI: 1S/C10H12BrN3.ClH/c1-13(2)7-9-5-12-10-4-3-8(11)6-14(9)10;/h3-6H,7H2,1-2H3;1H
• Isomeric SMILES: CN(C)CC1=CN=C2N1C=C(C=C2)Br.Cl
• PubChem CID: 24213739
• Molecular Weight: 290.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Aralkylamines Pyridines and derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Aralkylamine - Aryl bromide - Aryl halide - Pyridine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Chemical and Physical Properties

• Melt Point(°C): 223-225°(d
• Molecular Weight: 290.590 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 288.998 Da
• Monoisotopic Mass: 288.998 Da
• Topological Polar Surface Area: 20.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 198.000
• 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

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