Hexadimethrine bromide - ≥90% , CAS No.28728-55-4

CAS: 28728-55-4 Cat. No.: H300687 EC Number: 684-236-5

GRADE & PURITY ≥90%

Synonyms

AKOS040740806 | LS-14259 | 4C905MSK4W | 6,3-Ionene bromide | NCGC00090921-01 | CHEBI:5699 | NSC 25133 | 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine | Tox21_111041 | 6,3-Ionene | HEXADIMETHRIN BROMIDE FOR PROTEIN | SCHEMBL1650408 | NSC-1180

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application

Antiheparin agent. A 3mg quantity has been found to enhance peptide degradation in automated sequential analysis.

Specifications

Synonyms

AKOS040740806 | LS-14259 | 4C905MSK4W | 6,3-Ionene bromide | NCGC00090921-01 | CHEBI:5699 | NSC 25133 | 1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine | Tox21_111041 | 6,3-Ionene | HEXADIMETHRIN BROMIDE FOR PROTEIN | SCHEMBL1650408 | NSC-1180

Specifications & Purity

≥90%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥90%

Names and Identifiers

Pubchem Sid

528772944

Canonical Smiles

CN(C)CCCCCCN(C)C.C(CBr)CBr

IUPAC Name

1,3-dibromopropane;N,N,N',N'-tetramethylhexane-1,6-diamine

InChIKey

KZKAYEGOIJEWQB-UHFFFAOYSA-N

INCHI

1S/C10H24N2.C3H6Br2/c1-11(2)9-7-5-6-8-10-12(3)4;4-2-1-3-5/h5-10H2,1-4H3;1-3H2

Isomeric SMILES

CN(C)CCCCCCN(C)C.C(CBr)CBr

Reaxy-Rn

24865726

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24865726&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Not available
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 374.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 374.076 Da
• Monoisotopic Mass: 372.078 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 90.200
• 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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