Polyhexamethyleneguanidine hydrochloride(PHMGH) - ≥99% , CAS No.57028-96-3

CAS: 57028-96-3 Cat. No.: P304025 EC Number: 690-927-2 PubChem CID: 14771682

GRADE & PURITY ≥99%

Synonyms

PHMG | (E)-1,2-Dibutylguanidine | A937454 | 1,3-dibutylguanidine | N,N''-DIBUTYLGUANIDINE | 1,2-dibutylguanidine | AS-84189 | E77760 | Guanidine, N,N'-dibutyl- | BDBM50010749 | SCHEMBL1276675 | DTXSID90563856 | HXEJAEDEMWCUTP-UHFFFAOYSA-N | N,N''-Dibutyl-

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Polyhexamethyleneguanidine (PHMGH) hydrochloride is a positively charged polymer with broad-spectrum antimicrobial activity. It exerts its antibacterial effects by binding to the cell membranes of bacteria and fungi, disrupting membrane integrity. Polyhexamethyleneguanidine hydrochloride can be applied in studies related to disinfection, water treatment, pesticides, and other fields.

Specifications

Synonyms

PHMG | (E)-1, 2-Dibutylguanidine | A937454 | 1, 3-dibutylguanidine | N, N''-DIBUTYLGUANIDINE | 1, 2-dibutylguanidine | AS-84189 | E77760 | Guanidine, N, N'-dibutyl- | BDBM50010749 | SCHEMBL1276675 | DTXSID90563856 | HXEJAEDEMWCUTP-UHFFFAOYSA-N | N, N''-Dibutyl-

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488198736
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198736
• Canonical Smiles: CCCCNC(=NCCCC)N
• IUPAC Name: 1,2-dibutylguanidine
• InChIKey: HXEJAEDEMWCUTP-UHFFFAOYSA-N
• INCHI: 1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)
• Isomeric SMILES: CCCCNC(=NCCCC)N
• PubChem CID: 14771682

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• 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

Associated Targets(Human)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (2 Activities)

Discover Target: SIGMAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Soluble), Water (Sparingly)
• Molecular Weight: 171.280 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 171.174 Da
• Monoisotopic Mass: 171.174 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• 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: 1

References

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