≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCC(=O)NC1(CCCC1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N |
|---|---|
| IUPAC Name | N-[[4-(2-cyanophenyl)phenyl]methyl]-1-(pentanoylamino)cyclopentane-1-carboxamide |
| InChIKey | YRCWDKATYITJDZ-UHFFFAOYSA-N |
| INCHI | 1S/C25H29N3O2/c1-2-3-10-23(29)28-25(15-6-7-16-25)24(30)27-18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3,(H,27,30)(H,28,29) |
| Isomeric SMILES | CCCCC(=O)NC1(CCCC1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N |
| PubChem CID | 23655860 |
| Molecular Weight | 403.52 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenylcarbonitriles |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Benzonitriles N-acyl amines Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenylcarbonitrile - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzonitrile - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 403.500 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 403.226 Da |
| Monoisotopic Mass | 403.226 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 624.000 |
| 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 |
![N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-1-(pentanoylamino)cyclopentane-1-carboxamide - ≥97% , CAS No.141745-71-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)