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1-(3-Chlorobenzo[b]thiophen-2-yl)-N-methylmethanamine hydrochloride - ≥98%, high purity , CAS No.132740-14-8

COA

Grade & Purity:

≥98%

Cas Number: 132740-14-8
Molecular Weight: 248.17
PubChem CID: 14690819

In stock

Item Number

N692418

Grouped product items
SKU	Size	Availability	Price	Qty
N692418-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,218.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiophenes
    - Subclass 1-benzothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiophenes
Subclass	1-benzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	1-benzothiophenes
Alternative Parents	Aralkylamines Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Dialkylamines Organochlorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiophene - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
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-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride
INCHI	InChI=1S/C10H10ClNS.ClH/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9;/h2-5,12H,6H2,1H3;1H
InChIKey	PMEJFFOMRHLMJM-UHFFFAOYSA-N
Smiles	CNCC1=C(C2=CC=CC=C2S1)Cl.Cl
Isomeric SMILES	CNCC1=C(C2=CC=CC=C2S1)Cl.Cl
PubChem CID	14690819
Molecular Weight	248.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	248.170 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	246.999 Da
Monoisotopic Mass	246.999 Da
Topological Polar Surface Area	40.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176.000
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

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