3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine dihydrochloride - ≥97% , CAS No.1187932-53-1

CAS: 1187932-53-1 Cat. No.: B627166 Molecular Weight: 285.99 PubChem CID: 73553686

GRADE & PURITY ≥97%

Synonyms

1187932-53-1 | 3-Bromo-5,6,7,8-tetrahydro-1,6-naphthyridine dihydrochloride | 3-Bromo-5,6,7,8-tetrahydro-[1,6]naphthyridine dihydrochloride | 3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine | dihydrochloride | C8H11BrCl2N2 | SCHEMBL16935156 | MFCD09997812 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1187932-53-1 | 3-Bromo-5, 6, 7, 8-tetrahydro-1, 6-naphthyridine dihydrochloride | 3-Bromo-5, 6, 7, 8-tetrahydro-[1, 6]naphthyridine dihydrochloride | 3-bromo-5, 6, 7, 8-tetrahydro-1, 6-naphthyridine | dihydrochloride | C8H11BrCl2N2 | SCHEMBL16935156 | MFCD09997812 |

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: C1CNCC2=C1N=CC(=C2)Br.Cl.Cl
• IUPAC Name: 3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine;dihydrochloride
• InChIKey: OWWMQONBAXDTPI-UHFFFAOYSA-N
• INCHI: 1S/C8H9BrN2.2ClH/c9-7-3-6-4-10-2-1-8(6)11-5-7;;/h3,5,10H,1-2,4H2;2*1H
• Isomeric SMILES: C1CNCC2=C1N=CC(=C2)Br.Cl.Cl
• PubChem CID: 73553686
• Molecular Weight: 285.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Aralkylamines Pyridines and derivatives Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Aralkylamine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• 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: 285.990 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 283.948 Da
• Monoisotopic Mass: 283.948 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 140.000
• 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: 3

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