Skip to the beginning of the images gallery

1-Adamantyl Isocyanate - 98%, high purity , CAS No.4411-25-0

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 4411-25-0
Molecular Weight: 177.25
MDL number: MFCD00134405
PubChem CID: 2059995
PubChem SID: 504760672

In stock

Item Number

A151185

Grouped product items
SKU	Size	Availability	Price
A151185-200mg	200mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$26.90
A151185-1g	1g	3	$101.90
A151185-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$457.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	A826490 \| 1-Adamantyl isocyanate, 97% \| FT-0635277 \| W-200374 \| F2158-1541 \| GEO-00052 \| 1-adamantylisocyanate \| BP-13033 \| MFCD00134405 \| Oprea1_117454 \| SY057929 \| Adamantane, 1-isocyanato- \| EN300-16716 \| SCHEMBL75776 \| HMS1787B22 \| BB 0240698 \| 1-Adam
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	1-Adamantyl isocyanate is an isocyanate derivative.

Taxonomic Classification

Taxonomy Tree

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

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
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	504760672
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760672
IUPAC Name	1-isocyanatoadamantane
INCHI	InChI=1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChIKey	VBHCPGFCIQDXGZ-UHFFFAOYSA-N
Smiles	C1C2CC3CC1CC(C2)(C3)N=C=O
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=

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.

6 results found

Lot Number	Certificate Type	Date	Item
G2127044	Certificate of Analysis	May 07, 2025	A151185
G2127287	Certificate of Analysis	May 07, 2025	A151185
F2330187	Certificate of Analysis	May 10, 2023	A151185
F2330183	Certificate of Analysis	May 10, 2023	A151185
C2302183	Certificate of Analysis	Feb 13, 2023	A151185
C2302251	Certificate of Analysis	Feb 13, 2023	A151185

Chemical and Physical Properties

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 Å²
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

Citations of This Product

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration