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1-Isocyanoadamantane - >97.0%(GC), high purity , CAS No.22110-53-8

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1-Isocyanoadamantane - >97.0%(GC), high purity , CAS No.22110-53-8

COA

Grade & Purity:

≥97%(GC)

Cas Number: 22110-53-8
Molecular Weight: 161.25
MDL number: MFCD02258889
PubChem CID: 140885
PubChem SID: 488188094

In stock

Item Number

I157516

Grouped product items
SKU	Size	Availability	Price
I157516-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
I157516-250mg	250mg	3	$43.90
I157516-1g	1g	4	$133.90
I157516-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$602.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	1-Adamantyl isocyanide \| 1-Adamantyl isocyanide, 95% \| SCHEMBL179739 \| I0824 \| GS-0299 \| AKOS004120310 \| EN300-6512545 \| F19618 \| 1-Adamantylisocyanide \| AKOS037644183 \| MFCD02258889 \| 1-Adamantaneisocyanide \| DTXSID20176630 \| SY050645 \| AS-48173 \| 1-isoc
Specifications & Purity	≥97%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic isocyanides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic isocyanides
Intermediate Tree Nodes	Not available
Direct Parent	Organic isocyanides
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Organic isocyanide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as organic isocyanides. These are organic compounds containing the isomer HN+#C- of hydrocyanic acid, HC#N, or its hydrocarbyl derivatives RNC (RN+#C-).
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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488188094
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188094
IUPAC Name	1-isocyanoadamantane
INCHI	InChI=1S/C11H15N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2
InChIKey	RPRJRJNIFAYHRF-UHFFFAOYSA-N
Smiles	[C-]#[N+]C12CC3CC(C1)CC(C3)C2
Isomeric SMILES	[C-]#[N+]C12CC3CC(C1)CC(C3)C2
WGK Germany	3
Molecular Weight	161.25
Reaxy-Rn	2969181
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2969181&ln=

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
K2330088	Certificate of Analysis	Jul 21, 2021	I157516

Chemical and Physical Properties

Sensitivity	Hygroscopic
Melt Point(°C)	197 °C
Molecular Weight	161.240 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	161.12 Da
Monoisotopic Mass	161.12 Da
Topological Polar Surface Area	4.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	216.000
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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