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Basic Description
| Synonyms | 4-Methoxy-1-naphthonitrile | 5961-55-7 | 1-Cyano-4-methoxynaphthalene | 4-methoxynaphthalene-1-carbonitrile | 1-Naphthalenecarbonitrile, 4-methoxy- | 42Q2XWA3AE | CHEMBL44551 | 1-Naphthonitrile, 4-methoxy- | 4-Methoxy-1-naphthalenecarbonitrile | 4-Methoxy-naphthalene-1-car |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
- Class Naphthalenes
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene - Anisole - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
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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 | 504755435 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755435 |
| IUPAC Name | 4-methoxynaphthalene-1-carbonitrile |
| INCHI | InChI=1S/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3 |
| InChIKey | FRCZUGOIGNQOID-UHFFFAOYSA-N |
| Smiles | COC1=CC=C(C2=CC=CC=C21)C#N |
| Isomeric SMILES | COC1=CC=C(C2=CC=CC=C21)C#N |
| WGK Germany | 3 |
| Molecular Weight | 183.21 |
| Reaxy-Rn | 2096262 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096262&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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2328230 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328231 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328232 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328233 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328236 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328237 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328238 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328229 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328234 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
| K2328235 |
Certificate of Analysis | Nov 15, 2023 | M171125 |
Chemical and Physical Properties
| Molecular Weight | 183.210 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 183.068 Da |
| Monoisotopic Mass | 183.068 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |
Solution Calculators
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