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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.
| Sonrisas canónicas | COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCCOC |
|---|---|
| IUPAC Name | N-(3-bromophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine |
| InChIKey | LMNRGGOFCABQAE-UHFFFAOYSA-N |
| INCHI | 1S/C20H22BrN3O4/c1-25-6-8-27-18-11-16-17(12-19(18)28-9-7-26-2)22-13-23-20(16)24-15-5-3-4-14(21)10-15/h3-5,10-13H,6-9H2,1-2H3,(H,22,23,24) |
| Peso molecular | 448.300 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Phenol ethers Aniline and substituted anilines Bromobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Ether - Dialkyl ether - Azacycle - Secondary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 448.300 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 447.079 Da |
| Monoisotopic Mass | 447.079 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 448.000 |
| 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 |