≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488187483 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187483 |
| Canonical Smiles | CCCCN(CCC#N)C1=CC=CC=C1 |
| IUPAC Name | 3-(N-butylanilino)propanenitrile |
| InChIKey | KMGZOJSHGRNXOC-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3 |
| Isomeric SMILES | CCCCN(CCC#N)C1=CC=CC=C1 |
| Molecular Weight | 202.30 |
| Reaxy-Rn | 3133371 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3133371&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 | Amines |
| Intermediate Tree Nodes | Tertiary amines - Tertiary alkylarylamines |
| Direct Parent | Dialkylarylamines |
| Alternative Parents | Aniline and substituted anilines Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group. |
| 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 |
|---|---|---|---|
 H2325692 | Certificate of Analysis | Aug 08, 2023 | N159404 |
| H2325748 | Certificate of Analysis | Aug 08, 2023 | N159404 |
| H2325749 | Certificate of Analysis | Aug 08, 2023 | N159404 |
| H2325750 | Certificate of Analysis | Aug 08, 2023 | N159404 |
| Flash Point(°C) | 143 °C |
|---|---|
| Boil Point(°C) | 148°C/0.7mmHg(lit.) |
| Molecular Weight | 202.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 202.147 Da |
| Monoisotopic Mass | 202.147 Da |
| Topological Polar Surface Area | 27.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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 |
