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1-(5-Chloro-2-thienyl)ethylamine - 96%, high purity , CAS No.214759-44-1
Discover 1-(5-Chloro-2-thienyl)ethylamine by Aladdin Scientific in 96% for only $548.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
214759-44-1 | 1-(5-chlorothien-2-yl)ethanamine | 1-(5-chlorothiophen-2-yl)ethanamine | 1-(5-Chloro-2-thienyl)ethylamine | 1-(5-chloro-thiophen-2-yl)-ethylamine | MFCD05215241 | 1-(5-chloro-2-thienyl)ethanamine | 1-(5-chlorothiophen-2-yl)ethan-1-amine | 2-Thiophenemethana
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Not available
Direct Parent
Aralkylamines
Alternative Parents
2,5-disubstituted thiophenes Aryl chlorides Heteroaromatic compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aralkylamine - 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
1-(5-chlorothiophen-2-yl)ethanamine
INCHI
InChI=1S/C6H8ClNS/c1-4(8)5-2-3-6(7)9-5/h2-4H,8H2,1H3
InChIKey
POVBCAPIAGIBEW-UHFFFAOYSA-N
Smiles
CC(C1=CC=C(S1)Cl)N
Isomeric SMILES
CC(C1=CC=C(S1)Cl)N
Molecular Weight
161.7
Reaxy-Rn
42160787
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42160787&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
161.650 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
161.007 Da
Monoisotopic Mass
161.007 Da
Topological Polar Surface Area
54.300 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
99.100
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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