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1-(benzothiophen-4-yl)piperazine;dihydrochloride - 97%, high purity , CAS No.1677681-05-8

COA

Grade & Purity:

≥97%

Cas Number: 1677681-05-8
Molecular Weight: 291.24
MDL number: MFCD30489835
PubChem CID: 91800914

In stock

Item Number

P630175

Grouped product items
SKU	Size	Availability	Price	Qty
P630175-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$40.90
P630175-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90

Basic Description

Synonyms	1-(Benzo[b]thiophen-4-yl)piperazine dihydrochloride \| 1677681-05-8 \| 1-(1-benzothiophen-4-yl)piperazine \| dihydrochloride \| SCHEMBL23270836 \| CSC68105 \| MFCD30489835 \| 1-benzo[B]thien-4-ylpiperazine 2HCl \| DS-19870 \| CS-0161886 \| C73228 \| 1-(BENZO[B]THIOP
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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-arylpiperazines
Alternative Parents	1-benzothiophenes Dialkylarylamines Benzenoids Thiophenes Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-arylpiperazine - Benzothiophene - 1-benzothiophene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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-(1-benzothiophen-4-yl)piperazine;dihydrochloride
INCHI	InChI=1S/C12H14N2S.2ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;;/h1-4,9,13H,5-8H2;2*1H
InChIKey	UNMUGUDMFAWBOP-UHFFFAOYSA-N
Smiles	C1CN(CCN1)C2=C3C=CSC3=CC=C2.Cl.Cl
Isomeric SMILES	C1CN(CCN1)C2=C3C=CSC3=CC=C2.Cl.Cl
PubChem CID	91800914
Molecular Weight	291.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	291.200 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	290.041 Da
Monoisotopic Mass	290.041 Da
Topological Polar Surface Area	43.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	216.000
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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