≥98%(CP),≥98 atom% D 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.
| Canonical Smiles | CC1=C(C(=CC=C1)C)N |
|---|---|
| IUPAC Name | 2,6-bis(trideuteriomethyl)aniline |
| InChIKey | UFFBMTHBGFGIHF-WFGJKAKNSA-N |
| INCHI | 1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/i1D3,2D3 |
| Isomeric SMILES | [2H]C([2H])([2H])C1=C(C(=CC=C1)C([2H])([2H])[2H])N |
| Alternate CAS | 87-62-7（unlabelled） |
| Molecular Weight | 127.22 |
| Reaxy-Rn | 636332 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636332&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | m-Xylenes |
| Alternative Parents | Aniline and substituted anilines Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-xylene - Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 127.220 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 127.127 Da |
| Monoisotopic Mass | 127.127 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 80.600 |
| Isotope Atom Count | 6 |
| 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 |
H2512412