≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Canonical Smiles | C(CC#N)CO |
|---|---|
| IUPAC Name | 4-hydroxybutanenitrile |
| InChIKey | BAQQRABCRRQRSR-UHFFFAOYSA-N |
| INCHI | 1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2 |
| Isomeric SMILES | C(CC#N)CO |
| Alternate CAS | 628-22-8 |
| NSC Number | 3805 |
| Molecular Weight | 85.11 |
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 | Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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 |
|---|---|---|---|
 F2520662 | Certificate of Analysis | Jun 14, 2025 | H696403 |
| F2520666 | Certificate of Analysis | Jun 14, 2025 | H696403 |
| F2520668 | Certificate of Analysis | Jun 14, 2025 | H696403 |
| F2520672 | Certificate of Analysis | Jun 14, 2025 | H696403 |
| F2524737 | Certificate of Analysis | Jun 14, 2025 | H696403 |
| F2524740 | Certificate of Analysis | Jun 14, 2025 | H696403 |
| Molecular Weight | 85.100 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 85.0528 Da |
| Monoisotopic Mass | 85.0528 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 61.200 |
| 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 |
