≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1OC2=C(O1)C=C(C(=C2)N)N |
|---|---|
| IUPAC Name | 1,3-benzodioxole-5,6-diamine |
| InChIKey | SNHKEQOYVVRBQO-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,8-9H2 |
| Isomeric SMILES | C1OC2=C(O1)C=C(C(=C2)N)N |
| Alternate CAS | 81864-15-5 |
| Molecular Weight | 152.15 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Primary aromatic amines Benzenoids Oxacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Benzenoid - Primary aromatic amine - Oxacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 152.150 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.059 Da |
| Monoisotopic Mass | 152.059 Da |
| Topological Polar Surface Area | 70.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 137.000 |
| 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 |
A2623674