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(4-(Phenylsulfonyl)phenyl)methanamine - ≥95%, high purity , CAS No.94341-56-7

COA

Grade & Purity:

≥95%

Cas Number: 94341-56-7
Molecular Weight: 247.31
PubChem CID: 58775895

In stock

Item Number

P734365

Grouped product items
SKU	Size	Availability	Price
P734365-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$455.90
P734365-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
P734365-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,090.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Phenylmethylamines Benzylamines Aralkylamines Sulfones Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Benzylamine - Phenylmethylamine - Aralkylamine - Sulfone - Sulfonyl - Amine - Primary amine - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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	[4-(benzenesulfonyl)phenyl]methanamine
INCHI	InChI=1S/C13H13NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey	MTVXOTIZNSJKIY-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN
Isomeric SMILES	C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN
PubChem CID	58775895
Molecular Weight	247.31

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.310 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	247.067 Da
Monoisotopic Mass	247.067 Da
Topological Polar Surface Area	68.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	320.000
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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