4-Chlorophenylguanidine hydrochloride - ≥98% , CAS No.14279-91-5

CAS: 14279-91-5 Cat. No.: C287739 Molecular Weight: 206.07 EC Number: 641-871-2 PubChem CID: 44134626

GRADE & PURITY ≥98%

Synonyms

N''-(4-Chlorophenyl)guanidine--hydrogen chloride (1/1) | (4-Chlorophenyl)guanidine Hydrochloride | AKOS030254905 | 1-(4-Chlorophenyl)guanidinehydrochloride | N-(4-CHLOROPHENYL)GUANIDINE HYDROCHLORIDE | N-(4-Chloro-phenyl)-guanidine hydrochloride | BS-5222

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

N''-(4-Chlorophenyl)guanidine--hydrogen chloride (1/1) | (4-Chlorophenyl)guanidine Hydrochloride | AKOS030254905 | 1-(4-Chlorophenyl)guanidinehydrochloride | N-(4-CHLOROPHENYL)GUANIDINE HYDROCHLORIDE | N-(4-Chloro-phenyl)-guanidine hydrochloride | BS-5222

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent and specific inhibitor of urokinase. Also a positive allosteric modulator at acid sensing ion channel 3 (ASIC3), which increases its pH sensitivity.

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Action Type

MODULATOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770272
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770272
• Canonical Smiles: C1=CC(=CC=C1N=C(N)N)Cl.Cl
• IUPAC Name: 2-(4-chlorophenyl)guanidine;hydrochloride
• InChIKey: RMFZXBDENVVLSL-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClN3.ClH/c8-5-1-3-6(4-2-5)11-7(9)10;/h1-4H,(H4,9,10,11);1H
• Isomeric SMILES: C1=CC(=CC=C1N=C(N)N)Cl.Cl
• PubChem CID: 44134626
• Molecular Weight: 206.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Guanidines Propargyl-type 1,3-dipolar organic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Solubility: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Sensitivity: light sensitive
• Molecular Weight: 206.070 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 205.017 Da
• Monoisotopic Mass: 205.017 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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: 2

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