| Sonrisas canónicas | COC1=C(C=C(C=C1)CN)C#N |
|---|---|
| IUPAC Name | 5-(aminomethyl)-2-methoxybenzonitrile |
| InChIKey | QHAVONPWXPPJTK-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N2O/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-4H,5,10H2,1H3 |
| Peso molecular | 162.19 |
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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 | Phenoxy compounds Methoxybenzenes Benzylamines Benzonitriles Anisoles Aralkylamines Alkyl aryl ethers Nitriles Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anisole - Benzonitrile - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Cyanide - 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 | 162.190 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 162.079 Da |
| Monoisotopic Mass | 162.079 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
