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1-(Benzo[b]thiophen-4-yl)piperazine - ≥97%, high purity , CAS No.846038-18-4

COA COA
    Grade & Purity:
  • ≥97%
In stock
Item Number
P729927
Grouped product items
SKU Size
Availability
 Price Qty
P729927-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
P729927-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$99.90
P729927-25g
25g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$362.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Specifications & Purity ≥97%

Taxonomic Classification

Taxonomy Tree

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  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents N-arylpiperazine - Benzothiophene - 1-benzothiophene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - 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

Names and Identifiers

IUPAC Name 1-(1-benzothiophen-4-yl)piperazine
INCHI InChI=1S/C12H14N2S/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1/h1-4,9,13H,5-8H2
InChIKey VMIRJNDPLCQEHB-UHFFFAOYSA-N
Smiles C1CN(CCN1)C2=C3C=CSC3=CC=C2
Isomeric SMILES C1CN(CCN1)C2=C3C=CSC3=CC=C2
Alternate CAS 913614-18-3
Molecular Weight 218.32

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

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

Chemical and Physical Properties

Molecular Weight 218.320 g/mol
XLogP3 2.400
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 218.088 Da
Monoisotopic Mass 218.088 Da
Topological Polar Surface Area 43.500 Ų
Heavy Atom Count 15
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 1

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