Adamantan-1-yl(pyrrolidin-1-yl)methanone , CAS No.22508-51-6

CAS: 22508-51-6 Cat. No.: A668712 Molecular Weight: 233.35 PubChem CID: 2741656
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Synonyms
Adamantan-1-yl(pyrrolidin-1-yl)methanone | 1-(adamantane-1-carbonyl)pyrrolidine | 1-adamantyl(pyrrolidin-1-yl)methanone | Adamantan-1-yl-pyrrolidin-1-yl-methanone | L9NTG6LV7J | (Adamantan-1-yl)(pyrrolidin-1-yl)methanone | 1-Pyrrolidinyltricyclo(3.3.1.13,
Storage
Room temperature
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Size
Status
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1mg
A668712-1mg
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$571.90

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5mg
A668712-5mg
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Adamantan-1-yl(pyrrolidin-1-yl)methanone | 1-(adamantane-1-carbonyl)pyrrolidine | 1-adamantyl(pyrrolidin-1-yl)methanone | Adamantan-1-yl-pyrrolidin-1-yl-methanone | L9NTG6LV7J | (Adamantan-1-yl)(pyrrolidin-1-yl)methanone | 1-Pyrrolidinyltricyclo(3.3.1.13,
Storage
Room temperature
Product Properties
ALogP2.8
Names and Identifiers
Canonical SmilesC1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3
IUPAC Name1-adamantyl(pyrrolidin-1-yl)methanone
InChIKeyRVXVNLMWQYKNHL-UHFFFAOYSA-N
INCHI1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
Isomeric SMILES C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3
PubChem CID 2741656
Molecular Weight 233.35

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrrolidines
SubclassN-acylpyrrolidines
Intermediate Tree Nodes Not available
Direct ParentN-acylpyrrolidines
Alternative Parents Tertiary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents N-acylpyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight233.350 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass233.178 Da
Monoisotopic Mass233.178 Da
Topological Polar Surface Area20.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity302.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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