2,3-Dibromo-propylamine, hydrobromide - ≥95% , CAS No.6963-32-2

CAS: 6963-32-2 Cat. No.: D487237 Formule: C₃H₈Br₃N Poids moléculaire: 297.81 Numéro CE: 230-159-3

GRADE & PURITY ≥95%

Synonyms

A866796 | 2,3-Dibromo-propylamine, hydrobromide | EN300-7423343 | NQVQUJRBCVAMIL-UHFFFAOYSA-N | NSC 53751 | 2,3-dibromopropan-1-amine hydrobromide | 2,3-DibromopropylamineHydrobromide | SCHEMBL4961260 | AKOS022183657 | 2,3-dibromopropan-1-amine;hydrobromi

Storage

Room temperature

Vue d’ensemble

Description

In tandem with Turbo Grignard (Aldrich product 656984) and an electrophilic trap, 2,3-Dibromo-propylamine hydrobromide generates a "spring loaded" electrophile, which is a convenient reagent for the installation of azetidine to secondary amines. This product is one of several synthetic useful reagents reported by Baran and coworkers on Strain-release amination.

Specifications

Synonymes

A866796 | 2,3-Dibromo-propylamine, hydrobromide | EN300-7423343 | NQVQUJRBCVAMIL-UHFFFAOYSA-N | NSC 53751 | 2,3-dibromopropan-1-amine hydrobromide | 2,3-DibromopropylamineHydrobromide | SCHEMBL4961260 | AKOS022183657 | 2,3-dibromopropan-1-amine;hydrobromi

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488187454

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187454

Sourires canoniques

C(C(CBr)Br)N.Br

IUPAC Name

2,3-dibromopropan-1-amine;hydrobromide

InChIKey

NQVQUJRBCVAMIL-UHFFFAOYSA-N

INCHI

1S/C3H7Br2N.BrH/c4-1-3(5)2-6;/h3H,1-2,6H2;1H

Isomères SMILES

C(C(CBr)Br)N.Br

Poids moléculaire

297.81

Reaxy-Rn

4438941

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4438941&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Primary amine - Organonitrogen compound - Organobromide - Primary aliphatic amine - Amine - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine 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

Propriétés chimiques et physiques

• Poids moléculaire: 297.810 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 296.819 Da
• Monoisotopic Mass: 294.821 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 32.000
• 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

XLogP3

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6963-32-2, the molecular formula is C3H8Br3N, and the molecular weight is 297.81 g/mol. InChIKey NQVQUJRBCVAMIL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.