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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure.
Form:Solid
| Sonrisas canónicas | CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 2-benzyl-1-methylquinazolin-4-one |
| InChIKey | XVPZRKIQCKKYNE-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| Isómeros SMILES | CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3 |
| CAS alternativo | 6873-15-0 |
| PubChem CID | 63123 |
| Número NSC | 127745 |
| Términos de entrada MeSH | arborine;glycosine |
| Peso molecular | 250.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Pyrimidones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Quinazoline alkaloids |
| Solubilidad | DMSO : 16.67 mg/mL (66.60 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| Peso molecular | 250.290 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 250.111 Da |
| Monoisotopic Mass | 250.111 Da |
| Topological Polar Surface Area | 32.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |