Bis(2-bromoethyl)amine hydrobromide - ≥96% , CAS No.43204-63-3

CAS: 43204-63-3 Cat. No.: B184524 Summenformel: C₄H₉Br₂N.BrH Molekulargewicht: 311.8 PubChem CID: 12692731

GRADE & PURITY ≥96%

Synonyms

MFCD11044002 | di-(2-bromoethyl)amine hydrobromide | di(2-bromoethyl)amine hydrobromide | DTXSID10962963 | NSC72394 | NSC-72394 | SY018108 | bis(beta-bromoethyl)amine.hydrobromide | C4H10Br3N | bis-(2-bromoethyl)amine hydrobromide | BIS(2-BROMOETHYL)AMINE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD11044002 | di-(2-bromoethyl)amine hydrobromide | di(2-bromoethyl)amine hydrobromide | DTXSID10962963 | NSC72394 | NSC-72394 | SY018108 | bis(beta-bromoethyl)amine.hydrobromide | C4H10Br3N | bis-(2-bromoethyl)amine hydrobromide | BIS(2-BROMOETHYL)AMINE

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488198220

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198220

Kanonisches Lächeln

C(CBr)NCCBr.Br

IUPAC Name

2-bromo-N-(2-bromoethyl)ethanamine;hydrobromide

InChIKey

YHHKEXPNBPDPOW-UHFFFAOYSA-N

INCHI

1S/C4H9Br2N.BrH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H

Isomere SMILES

C(CBr)NCCBr.Br

PubChem CID

12692731

Molekulargewicht

311.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Dialkylamines Organobromides Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrogen mustard - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Hydrobromide - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 311.840 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 310.834 Da
• Monoisotopic Mass: 308.836 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 28.900
• 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

XLogP3