≥98%(GC)(T) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181940 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181940 |
| Canonical Smiles | C1=CC=C(C=C1)NCCC#N |
| IUPAC Name | 3-anilinopropanenitrile |
| InChIKey | FENJKTQEFUPECW-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2 |
| Isomeric SMILES | C1=CC=C(C=C1)NCCC#N |
| RTECS | UG0770000 |
| Molecular Weight | 146.19 |
| Reaxy-Rn | 509166 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509166&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 | Aralkylamines |
| Direct Parent | Phenylalkylamines |
| Alternative Parents | Aniline and substituted anilines Secondary alkylarylamines Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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 |
|---|---|---|---|
 E2231358 | Certificate of Analysis | Mar 16, 2026 | A151772 |
| E2231387 | Certificate of Analysis | Mar 16, 2026 | A151772 |
| K2116103 | Certificate of Analysis | Aug 13, 2025 | A151772 |
| F2328209 | Certificate of Analysis | May 22, 2023 | A151772 |
| F2328208 | Certificate of Analysis | May 22, 2023 | A151772 |
| F2328207 | Certificate of Analysis | May 22, 2023 | A151772 |
| F2328206 | Certificate of Analysis | May 22, 2023 | A151772 |
| E2312710 | Certificate of Analysis | May 06, 2023 | A151772 |
| E2312709 | Certificate of Analysis | May 06, 2023 | A151772 |
| E2312698 | Certificate of Analysis | May 06, 2023 | A151772 |
| E2312695 | Certificate of Analysis | May 06, 2023 | A151772 |
| F1919044 | Certificate of Analysis | Apr 12, 2023 | A151772 |
| C2308548 | Certificate of Analysis | Mar 16, 2023 | A151772 |
| C2308532 | Certificate of Analysis | Mar 16, 2023 | A151772 |
| G2219731 | Certificate of Analysis | Jun 12, 2022 | A151772 |
| G2219732 | Certificate of Analysis | Jun 12, 2022 | A151772 |
| E2231388 | Certificate of Analysis | Mar 27, 2022 | A151772 |
| Solubility | Insoluble in water; Soluble in Methanol |
|---|---|
| Boil Point(°C) | 160°C/6mmHg |
| Melt Point(°C) | 50 °C |
| Molecular Weight | 146.190 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 146.084 Da |
| Monoisotopic Mass | 146.084 Da |
| Topological Polar Surface Area | 35.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 139.000 |
| 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. Min Li, Wujun Ma, Liping Zhang, Christiana Agbo, Shaohai Fu. (2016) Investigation from Synthesis to Crystal Structure to Application of Ecofriendly Disperse Dyes on One-Step Dyeing of PET Fabric. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.6b02100] |
