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2-Ethynyl-4-methylaniline - 98%, high purity , CAS No.215589-37-0

COA

Grade & Purity:

≥98%

Cas Number: 215589-37-0
Molecular Weight: 131.17
PubChem CID: 640759
PubChem SID: 488190909

In stock

Item Number

E168613

Grouped product items
SKU	Size	Availability	Price
E168613-250mg	250mg	4	$84.90
E168613-1g	1g	9	$185.90
E168613-5g	5g	2	$836.90

Discover 2-Ethynyl-4-methylaniline by Aladdin Scientific in 98% for only $84.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-ethynyl-4-methylaniline \| 215589-37-0 \| 2-ethynyl-4-methylbenzenamine \| 2-Amino-5-methylphenylacetylene \| SCHEMBL12225260 \| DTXSID50348803 \| VCOACWPANOYCBP-UHFFFAOYSA-N \| benzenamine, 2-ethynyl-4-methyl- \| MFCD11036439 \| AKOS005073445 \| MD-0015 \| CS-0158574 \| C74053 \| A912260 \| J-
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Aminotoluenes
Alternative Parents	Aniline and substituted anilines Acetylides Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminotoluene - Aniline or substituted anilines - Acetylide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Pubchem Sid	488190909
IUPAC Name	2-ethynyl-4-methylaniline
INCHI	InChI=1S/C9H9N/c1-3-8-6-7(2)4-5-9(8)10/h1,4-6H,10H2,2H3
InChIKey	VCOACWPANOYCBP-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)N)C#C
Isomeric SMILES	CC1=CC(=C(C=C1)N)C#C
Molecular Weight	131.17
Reaxy-Rn	8254288
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8254288&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
D2312143	Certificate of Analysis	Sep 27, 2022	E168613
C2521352	Certificate of Analysis	Sep 27, 2022	E168613
K2228186	Certificate of Analysis	Sep 27, 2022	E168613
K2228184	Certificate of Analysis	Sep 27, 2022	E168613
K2228185	Certificate of Analysis	Sep 27, 2022	E168613

Chemical and Physical Properties

Molecular Weight	131.170 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	131.073 Da
Monoisotopic Mass	131.073 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	153.000
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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