≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504751777 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751777 |
| Canonical Smiles | CCN(CCC#N)C1=CC=CC=C1 |
| IUPAC Name | 3-(N-ethylanilino)propanenitrile |
| InChIKey | WYRNRZQRKCXPLA-UHFFFAOYSA-N |
| INCHI | 1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3 |
| Isomeric SMILES | CCN(CCC#N)C1=CC=CC=C1 |
| RTECS | BY0100000 |
| Molecular Weight | 174.24 |
| Reaxy-Rn | 973910 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973910&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 |
|---|---|---|---|
 A2211050 | Certificate of Analysis | Oct 17, 2025 | C113588 |
| A2211142 | Certificate of Analysis | Oct 17, 2025 | C113588 |
| A2211154 | Certificate of Analysis | Oct 17, 2025 | C113588 |
| A2211155 | Certificate of Analysis | Oct 17, 2025 | C113588 |
| H1513053 | Certificate of Analysis | Apr 12, 2023 | C113588 |
| F2305918 | Certificate of Analysis | Dec 21, 2021 | C113588 |
| F2305919 | Certificate of Analysis | Dec 21, 2021 | C113588 |
| F2305920 | Certificate of Analysis | Dec 21, 2021 | C113588 |
| G2419061 | Certificate of Analysis | Dec 21, 2021 | C113588 |
| Boil Point(°C) | 176°C |
|---|---|
| Molecular Weight | 174.240 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 174.116 Da |
| Monoisotopic Mass | 174.116 Da |
| Topological Polar Surface Area | 27.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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. Danling Yang, Rongfeng Zou, Yu Zhu, Ben Liu, Defan Yao, Juanjuan Jiang, Junchen Wu, He Tian. (2014) Magainin II modified polydiacetylene micelles for cancer therapy. Nanoscale, 6 (24): (14772-14783). [PMID:25355048] [10.1039/C4NR04405C] |
| 2. Shurui Lv, Yuang Zhang, Shufen Zhang, Bingtao Tang. (2026) Visible-Light-Driven Heteroaryl Azo Switches with High-Efficiency Photoisomerization for Advanced Photochromic Systems. Advanced Optical Materials, [PMID:] [10.1002/adom.202503223] |
