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(1-Tosyl-1H-indol-4-yl)methanamine - ≥95%, high purity , CAS No.1145678-74-5

COA

Grade & Purity:

≥95%

Cas Number: 1145678-74-5
Molecular Weight: 300.4
MDL number: MFCD22573954
PubChem CID: 67262154

In stock

Item Number

M768360

Grouped product items
SKU	Size	Availability	Price	Qty
M768360-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$223.90
M768360-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$359.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Tosyl compounds Indoles Benzenesulfonyl compounds Aralkylamines Substituted pyrroles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Tosyl compound - Indole - Indole or derivatives - Benzenesulfonyl group - Aralkylamine - Toluene - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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-(4-methylphenyl)sulfonylindol-4-yl]methanamine
INCHI	InChI=1S/C16H16N2O2S/c1-12-5-7-14(8-6-12)21(19,20)18-10-9-15-13(11-17)3-2-4-16(15)18/h2-10H,11,17H2,1H3
InChIKey	JHRFJDRMDHBZPF-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)CN
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)CN
PubChem CID	67262154
Molecular Weight	300.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	300.400 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	300.093 Da
Monoisotopic Mass	300.093 Da
Topological Polar Surface Area	73.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	451.000
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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