| Sonrisas canónicas | C1=CC(=C(C=C1Br)O)CN |
|---|---|
| IUPAC Name | 2-(aminomethyl)-5-bromophenol |
| InChIKey | LDTJJRBVBKQOLQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H8BrNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H,4,9H2 |
| Isómeros SMILES | C1=CC(=C(C=C1Br)O)CN |
| PubChem CID | 53403724 |
| Peso molecular | 202.05 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | M-bromophenols Benzylamines Bromobenzenes Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organopnictogen compounds Organooxygen compounds Organobromides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - 3-halophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Aralkylamine - Halobenzene - Phenol - Aryl bromide - Aryl halide - Amine - Organobromide - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Peso molecular | 202.050 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.979 Da |
| Monoisotopic Mass | 200.979 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
