≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | C1CC2=C(C=CC(=C2)C(C3=CC=CC=C3)N)OC1.Cl |
|---|---|
| IUPAC Name | 3,4-dihydro-2H-chromen-6-yl(phenyl)methanamine;hydrochloride |
| InChIKey | XRYBMXMLPIAOIL-UHFFFAOYSA-N |
| INCHI | 1S/C16H17NO.ClH/c17-16(12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-18-15;/h1-3,5-6,8-9,11,16H,4,7,10,17H2;1H |
| Isomeric SMILES | C1CC2=C(C=CC(=C2)C(C3=CC=CC=C3)N)OC1.Cl |
| PubChem CID | 13737609 |
| Molecular Weight | 275.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzopyrans |
| Alternative Parents | Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Oxacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzopyran - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Organic nitrogen compound - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 275.770 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 275.108 Da |
| Monoisotopic Mass | 275.108 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
