1-(4-bromopyridin-2-yl)methanamine dihydrochloride - ≥97% , CAS No.1001414-95-4

CAS: 1001414-95-4 Cat. No.: M626474 Molecular Weight: 259.96 PubChem CID: 70700299

GRADE & PURITY ≥97%

Synonyms

1779128-18-5 | (4-BROMOPYRIDIN-2-YL)METHANAMINE HCL | 2-Pyridinemethanamine, 4-bromo-, hydrochloride (1:2) | AMY34516 | (4-Bromopyridin-2-yl)methanaminehydrochloride | FT-0737990 | (4-Bromopyridin-2-yl)methanamine hydrochloride | 1-(4-bromopyridin-2-yl)me

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1779128-18-5 | (4-BROMOPYRIDIN-2-YL)METHANAMINE HCL | 2-Pyridinemethanamine, 4-bromo-, hydrochloride (1:2) | AMY34516 | (4-Bromopyridin-2-yl)methanaminehydrochloride | FT-0737990 | (4-Bromopyridin-2-yl)methanamine hydrochloride | 1-(4-bromopyridin-2-yl)me

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C1=CN=C(C=C1Br)CN.Cl
• IUPAC Name: (4-bromopyridin-2-yl)methanamine;hydrochloride
• InChIKey: AGGJLXXNEQXMIB-UHFFFAOYSA-N
• INCHI: 1S/C6H7BrN2.ClH/c7-5-1-2-9-6(3-5)4-8;/h1-3H,4,8H2;1H
• Isomeric SMILES: C1=CN=C(C=C1Br)CN.Cl
• Alternate CAS: 1779128-18-5,1001414-95-4
• PubChem CID: 70700299
• Molecular Weight: 259.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass 2-pyridylmethylamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: 2-pyridylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-pyridylmethylamines
• Alternative Parents: Aralkylamines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridylmethylamine - Aralkylamine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Amine - Hydrochloride - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-pyridylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine.
• 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: 223.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.956 Da
• Monoisotopic Mass: 221.956 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.100
• 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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