≥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.
Product Application:
3-(2,4-Dihydroxyphenyl)propionic acid (DHPPA) may be used as substrate for the o-diphenolase in microplate assays of serum and hemocyte supernatants from QXR3 and wild type oysters for the quantitation of o-diphenolase activity.
| Canonical Smiles | CC1=CC=C(N1C)C#N |
|---|---|
| IUPAC Name | 1,5-dimethylpyrrole-2-carbonitrile |
| InChIKey | DRXOPQFEWDRGKT-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3 |
| Isomeric SMILES | CC1=CC=C(N1C)C#N |
| WGK Germany | 3 |
| Molecular Weight | 120.15 |
| Reaxy-Rn | 472049 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472049&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 | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | N-substituted pyrroles |
| Direct Parent | N-methylpyrroles |
| Alternative Parents | Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-methylpyrrole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole. |
| External Descriptors | Not available |
| Flash Point(°F) | 219.2 °F |
|---|---|
| Flash Point(°C) | 104 °C |
| Melt Point(°C) | 54-56 °C (lit.) |
| Molecular Weight | 120.150 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 120.069 Da |
| Monoisotopic Mass | 120.069 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 |
G2524321