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3-Chloro-4-(4-methylpiperazin-1-yl)aniline hydrochloride - ≥95%, high purity , CAS No.1052538-72-3

COA COA
    Grade & Purity:
  • ≥95%
In stock
Item Number
C728668
Grouped product items
SKU Size
Availability
 Price Qty
C728668-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$142.90
C728668-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$355.90
C728668-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,068.90
C728668-10g
10g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,723.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Specifications & Purity ≥95%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazinanes
Subclass Piperazines
Intermediate Tree Nodes Not available
Direct Parent Phenylpiperazines
Alternative Parents N-arylpiperazines  Dialkylarylamines  Aniline and substituted anilines  N-methylpiperazines  Chlorobenzenes  Aryl chlorides  Trialkylamines  Azacyclic compounds  Primary amines  Organochlorides  Hydrochlorides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available

Associated Targets(Human)

RAD52 Tchem DNA repair protein RAD52 homolog (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAD52 Tchem DNA repair protein RAD52 homolog (856 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 3-chloro-4-(4-methylpiperazin-1-yl)aniline;hydrochloride
INCHI InChI=1S/C11H16ClN3.ClH/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;/h2-3,8H,4-7,13H2,1H3;1H
InChIKey OGALTJHGPZGBRS-UHFFFAOYSA-N
Smiles CN1CCN(CC1)C2=C(C=C(C=C2)N)Cl.Cl
Isomeric SMILES CN1CCN(CC1)C2=C(C=C(C=C2)N)Cl.Cl
PubChem CID 16195098
Molecular Weight 262.18

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 262.180 g/mol
XLogP3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 261.08 Da
Monoisotopic Mass 261.08 Da
Topological Polar Surface Area 32.500 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 204.000
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

Solution Calculators

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Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
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