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1-ethynyladamantane - 97%, high purity , CAS No.40430-66-8

COA

Grade & Purity:

≥97%

Cas Number: 40430-66-8
Molecular Weight: 160.26
PubChem CID: 594781

In stock

Item Number

E176405

Grouped product items
SKU	Size	Availability	Price	Qty
E176405-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$314.90

Discover 1-ethynyladamantane by Aladdin Scientific in 97% for only $314.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-Ethynyladamantane \| 40430-66-8 \| 1-ADAMANTYLACETYLENE \| MFCD08061913 \| Adamantane-1-ethynyl \| 1-Ethynyladamantane # \| DTXSID60344159 \| AKOS006238795 \| AKOS015917883 \| AKOS037643738 \| GS-3580 \| PB26310 \| AS-34991 \| SY097027 \| AM20070487 \| CS-0052563 \| EN300-1472399 \| A825100 \| Z1486012435 \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Polycyclic hydrocarbons

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Polycyclic hydrocarbons
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Polycyclic hydrocarbons
Alternative Parents	Acetylides Unsaturated aliphatic hydrocarbons Acetylenes
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Polycyclic hydrocarbon - Acetylide - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
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-ethynyladamantane
INCHI	InChI=1S/C12H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h1,9-11H,3-8H2
InChIKey	KJNCIYYNPLWHDW-UHFFFAOYSA-N
Smiles	C#CC12CC3CC(C1)CC(C3)C2
Isomeric SMILES	C#CC12CC3CC(C1)CC(C3)C2
Molecular Weight	160.26
Reaxy-Rn	2040842
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040842&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.250 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	160.125 Da
Monoisotopic Mass	160.125 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	211.000
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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