1-(5-Bromopyridin-2-yl)ethan-1-amine hydrochloride - ≥98% , CAS No.1955561-33-7

CAS: 1955561-33-7 Cat. No.: B489562 Molecular Weight: 237.52 PubChem CID: 75598845

GRADE & PURITY ≥98%

Synonyms

1-(5-BROMOPYRIDIN-2-YL)ETHAN-1-AMINE HYDROCHLORIDE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-(5-BROMOPYRIDIN-2-YL)ETHAN-1-AMINE HYDROCHLORIDE

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772387
• Canonical Smiles: CC(C1=NC=C(C=C1)Br)N.Cl
• IUPAC Name: 1-(5-bromopyridin-2-yl)ethanamine;hydrochloride
• InChIKey: KSGKDUJWJNDXCO-UHFFFAOYSA-N
• INCHI: 1S/C7H9BrN2.ClH/c1-5(9)7-3-2-6(8)4-10-7;/h2-5H,9H2,1H3;1H
• Isomeric SMILES: CC(C1=NC=C(C=C1)Br)N.Cl
• PubChem CID: 75598845
• Molecular Weight: 237.52

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Aryl bromides Quaternary ammonium salts Heteroaromatic compounds Azacyclic compounds Organobromides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Quaternary ammonium salt - Azacycle - Organoheterocyclic compound - Organic salt - Hydrocarbon derivative - Primary amine - Organobromide - Organohalogen compound - Primary aliphatic amine - Organic chloride salt - Organic cation - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 237.520 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 235.972 Da
• Monoisotopic Mass: 235.972 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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