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1-(p-Tolyl)piperazine dihydrochloride - 97%, high purity , CAS No.13078-14-3

COA

Grade & Purity:

≥97%

Cas Number: 13078-14-3
Molecular Weight: 249.19
MDL number: MFCD00035286
PubChem CID: 83112

In stock

Item Number

P299829

Grouped product items
SKU	Size	Availability	Price
P299829-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
P299829-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$277.90
P299829-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,073.90

Basic Description

Synonyms	1-(p-Tolyl)piperazine dihydrochloride \| 13078-14-3 \| 1-(4-methylphenyl)piperazine dihydrochloride \| 159263-04-4 \| 1-(4-methylphenyl)piperazine;dihydrochloride \| Piperazine, 1-(4-methylphenyl)-, monohydrochloride \| 1-(p-Tolyl)piperazine HCl \| 1-(p-TOLYL)PIPERAZINE di HC
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

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 Aminotoluenes Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - 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
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

Names and Identifiers

IUPAC Name	1-(4-methylphenyl)piperazine;dihydrochloride
INCHI	InChI=1S/C11H16N2.2ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H
InChIKey	PMGFOTNCJZITIM-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)N2CCNCC2.Cl.Cl
Isomeric SMILES	CC1=CC=C(C=C1)N2CCNCC2.Cl.Cl
PubChem CID	83112
Molecular Weight	249.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	249.180 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	248.085 Da
Monoisotopic Mass	248.085 Da
Topological Polar Surface Area	15.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	144.000
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	3

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