≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,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 | CNC1=CC=CC(=C1)N |
|---|---|
| IUPAC Name | 3-N-methylbenzene-1,3-diamine |
| InChIKey | DYNWNNKAUGBOOZ-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N2/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3 |
| Isomeric SMILES | CNC1=CC=CC(=C1)N |
| Alternate CAS | 50617-73-7 |
| PubChem CID | 5151957 |
| Molecular Weight | 122.17 |
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 | Amines |
| Intermediate Tree Nodes | Aralkylamines |
| Direct Parent | Phenylalkylamines |
| Alternative Parents | Aniline and substituted anilines Secondary alkylarylamines Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group. |
| External Descriptors | Not available |
| Molecular Weight | 122.170 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 122.084 Da |
| Monoisotopic Mass | 122.084 Da |
| Topological Polar Surface Area | 38.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 83.000 |
| 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 |
H2506477