≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1-Adamantyl isocyanate is an isocyanate derivative.
| Pubchem Sid | 504760672 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760672 |
| Canonical Smiles | C1C2CC3CC1CC(C2)(C3)N=C=O |
| IUPAC Name | 1-isocyanatoadamantane |
| InChIKey | VBHCPGFCIQDXGZ-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2 |
| Isomeric SMILES | C1C2CC3CC1CC(C2)(C3)N=C=O |
| WGK Germany | 3 |
| Molecular Weight | 177.25 |
| Reaxy-Rn | 2098254 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2098254&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Isocyanates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isocyanates |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2127044 | Certificate of Analysis | May 07, 2025 | A151185 |
| G2127287 | Certificate of Analysis | May 07, 2025 | A151185 |
| F2330183 | Certificate of Analysis | May 10, 2023 | A151185 |
| F2330187 | Certificate of Analysis | May 10, 2023 | A151185 |
| C2302183 | Certificate of Analysis | Feb 13, 2023 | A151185 |
| C2302251 | Certificate of Analysis | Feb 13, 2023 | A151185 |
| Solubility | Soluble in Acetone |
|---|---|
| Sensitivity | Moisture sensitive. |
| Melt Point(°C) | 144-149°C |
| Molecular Weight | 177.240 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.115 Da |
| Monoisotopic Mass | 177.115 Da |
| Topological Polar Surface Area | 29.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| 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 |
| 1. Lin-feng Han, Xue Geng, Lin Ye, Ai-ying Zhang, Zeng-guo Feng. (2021) Constructing solvent-free inclusion complexes from β-cyclodextrin- and adamantane-terminated polycaprolactones and their mechanical and shape memory properties. POLYMER, [PMID:] [10.1016/j.polymer.2021.124047] |
