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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 | C1=CC2=C(C(=C1)I)C(=NC(=N2)N)N |
|---|---|
| IUPAC Name | 5-iodoquinazoline-2,4-diamine |
| InChIKey | SUZLYYOTNUWNLR-UHFFFAOYSA-N |
| INCHI | 1S/C8H7IN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13) |
| Isomeric SMILES | C1=CC2=C(C(=C1)I)C(=NC(=N2)N)N |
| PubChem CID | 198710 |
| Molecular Weight | 286.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Aminopyrimidines and derivatives Imidolactams Benzenoids Aryl iodides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Aminopyrimidine - Aryl halide - Aryl iodide - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organopnictogen compound - Primary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
| Molecular Weight | 286.070 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 285.972 Da |
| Monoisotopic Mass | 285.972 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 189.000 |
| 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 |