3,5-Diamino-4-methylbenzoic acid
3,5-diamino-4-methylbenzoic acid
Also Known As: 3,5-diamino-4-methylbenzoic acid|Bumetanide Impurity 43|3,5-Diamino-p-toluic acid|3,5-diamino-4-methyl-benzoic acid|3,5-diamino-4-methylbenzoicacid|3,5-diamino-4-methyl-benzoicacid|KS-00000NE1|Benzoic acid,3,5-diamino-4-methyl-|BB 0256451|107-635-3
CAS: 75601-68-2
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07423 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.07423 |
| Monoisotopic Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 75601-68-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1N)C(=O)O)N |
| InChIKey | KNWUVCLZVAITFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Food Additives (2 patents)
Heterocyclic Building Blocks (2 patents)
Organic Building Blocks (6 patents)
Pharmaceutical Intermediates (21 patents)
Polymer Intermediates (4 patents)
Product Overview
3,5-Diamino-4-methylbenzoic acid (CAS 75601-68-2), with molecular formula C8H10N2O2 and molecular weight 166.07423 g/mol. IUPAC: 3,5-diamino-4-methylbenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
Frequently Asked Questions
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