Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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 | CC1=C(C(=CC=C1)C(C)C)N |
|---|---|
| IUPAC Name | 2-methyl-6-propan-2-ylaniline |
| InChIKey | DDTKYVBFPULMGN-UHFFFAOYSA-N |
| INCHI | 1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3 |
| Isomeric SMILES | CC1=C(C(=CC=C1)C(C)C)N |
| Alternate CAS | 5266-85-3 |
| PubChem CID | 78920 |
| UN Number | 1993 |
| Packing Group | I |
| Molecular Weight | 149.23 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Cumenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cumenes |
| Alternative Parents | Phenylpropanes Aniline and substituted anilines Aminotoluenes Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Cumene - Aminotoluene - Aniline or substituted anilines - Toluene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jun 28, 2024 | I634049 | |
| Certificate of Analysis | Jun 28, 2024 | I634049 | |
| Certificate of Analysis | Jun 28, 2024 | I634049 | |
| Certificate of Analysis | Jun 28, 2024 | I634049 | |
| Certificate of Analysis | Jun 28, 2024 | I634049 | |
| Certificate of Analysis | Jun 28, 2024 | I634049 | |
| Certificate of Analysis | Jun 28, 2024 | I634049 | |
| Certificate of Analysis | Jun 28, 2024 | I634049 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 149.230 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 149.12 Da |
| Monoisotopic Mass | 149.12 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |