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2-(4-(3-Chloropropyl)piperazin-1-yl)ethanol dihydrochloride - ≥95%, high purity , CAS No.3445-00-9

COA

Grade & Purity:

≥95%

Cas Number: 3445-00-9
Molecular Weight: 279.64
PubChem CID: 11970280

In stock

Item Number

P726397

Grouped product items
SKU	Size	Availability	Price
P726397-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
P726397-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
P726397-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
P726397-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$376.90

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	N-alkylpiperazines
Alternative Parents	Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	N-alkylpiperazine - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Azacycle - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl 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	2-[4-(3-chloropropyl)piperazin-1-yl]ethanol;dihydrochloride
INCHI	InChI=1S/C9H19ClN2O.2ClH/c10-2-1-3-11-4-6-12(7-5-11)8-9-13;;/h13H,1-9H2;2*1H
InChIKey	GFJQEKFGLWJWDN-UHFFFAOYSA-N
Smiles	C1CN(CCN1CCCCl)CCO.Cl.Cl
Isomeric SMILES	C1CN(CCN1CCCCl)CCO.Cl.Cl
PubChem CID	11970280
Molecular Weight	279.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	279.600 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	278.072 Da
Monoisotopic Mass	278.072 Da
Topological Polar Surface Area	26.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	127.000
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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