Skip to the beginning of the images gallery

3-((Trimethylsilyl)ethynyl)aniline - ≥95%, high purity , CAS No.110598-30-6

COA

Grade & Purity:

≥95%

Cas Number: 110598-30-6
EC Number: 889-514-1
PubChem CID: 11159794

In stock

Item Number

E725637

Grouped product items
SKU	Size	Availability	Price	Qty
E725637-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
E725637-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$87.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Trialkylsilanes Organic metalloid salts Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Trialkylsilane - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Primary amine - Organonitrogen compound - Organic metalloid moeity - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
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	3-(2-trimethylsilylethynyl)aniline
INCHI	InChI=1S/C11H15NSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h4-6,9H,12H2,1-3H3
InChIKey	UMDLPUJBLHKTSG-UHFFFAOYSA-N
Smiles	C[Si](C)(C)C#CC1=CC(=CC=C1)N
Isomeric SMILES	C[Si](C)(C)C#CC1=CC(=CC=C1)N
Alternate CAS	110598-30-6
PubChem CID	11159794

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	189.330 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	189.097 Da
Monoisotopic Mass	189.097 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration