| Canonical Smiles | C1=CC(=CC=C1CN)CN.Cl.Cl |
|---|---|
| IUPAC Name | [4-(aminomethyl)phenyl]methanamine;dihydrochloride |
| InChIKey | MMRSJZODOAQOTM-UHFFFAOYSA-N |
| INCHI | 1S/C8H12N2.2ClH/c9-5-7-1-2-8(6-10)4-3-7;;/h1-4H,5-6,9-10H2;2*1H |
| Isomeric SMILES | C1=CC(=CC=C1CN)CN.Cl.Cl |
| PubChem CID | 68534614 |
| Molecular Weight | 209.11 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 209.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 208.053 Da |
| Monoisotopic Mass | 208.053 Da |
| Topological Polar Surface Area | 52.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 73.300 |
| 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 | 3 |
