≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
It was used as bisnucleophilic reagent which on cyclocondensation with hexafluoroacetone(ethoxycarbonylimine) forms bis(trifluoromethyl)pyrimidinones.
| Canonical Smiles | CC(=CC#N)N |
|---|---|
| IUPAC Name | 3-aminobut-2-enenitrile |
| InChIKey | DELJOESCKJGFML-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3 |
| Isomeric SMILES | CC(=CC#N)N |
| WGK Germany | 3 |
| Molecular Weight | 82.11 |
| Beilstein | 1719815 |
| Reaxy-Rn | 1719815 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719815&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 | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Enamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Enamine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| 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 |
|---|---|---|---|
 G2416089 | Certificate of Analysis | Apr 07, 2026 | A163009 |
| E2429129 | Certificate of Analysis | Mar 10, 2026 | A163009 |
| E2325549 | Certificate of Analysis | Feb 07, 2025 | A163009 |
| E2325554 | Certificate of Analysis | Feb 07, 2025 | A163009 |
| A2612027 | Certificate of Analysis | Apr 30, 2024 | A163009 |
| E2429128 | Certificate of Analysis | Apr 30, 2024 | A163009 |
| F2406532 | Certificate of Analysis | Apr 30, 2024 | A163009 |
| E2325534 | Certificate of Analysis | Apr 27, 2023 | A163009 |
| Solubility | 95% ethanol: soluble 25 mg/mL, clear, colorless to yellow Very soluble in water |
|---|---|
| Sensitivity | Hygroscopic |
| Flash Point(°C) | 154°C |
| Boil Point(°C) | 120°/4mmHg |
| Melt Point(°C) | 70-75°C |
| Molecular Weight | 82.100 g/mol |
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 82.0531 Da |
| Monoisotopic Mass | 82.0531 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 104.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
