HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Methyltyramine
n-methyl-tyramin · methyl-4-tyramine · METHYLTYRAMINE, N- · N-METHYL-P-TYRAMINE · N-Methyl-4-tyramine · Adrenaline Impurity 119 · p-(2-methylaminoethyl)phenol · p-(2-methylaminoethyl)-pheno
Identifiers & Physical Properties
| CAS No. | 370-98-9 |
|---|---|
| Molecular formula | C9H13NO |
| Average molar mass | 151.21 g/mol |
| Monoisotopic mass | 151.09971404 g/mol |
| SMILES | CNCCc1ccc(O)cc1 |
| InChIKey | AXVZFRBSCNEKPQ-UHFFFAOYSA-N |
| PubChem CID | 9727 |
| ChEMBL | CHEMBL5169925 |
| ChEBI | CHEBI:17458 |
| EC No. | 206-731-3 |
| DTXSID | DTXSID60190496 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 32.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 97.7 |
| Chemical classes | Biological Agents -> Amino Acids and Derivatives |
| Drugs | DEA NFLIS-Drug Category -> Phenethylamines |
| LogP (partition coefficient) | 1.455 |
| Physical Description | Solid |
| Melting point | 130~131℃ |
| Boiling point | 270.9±15.0 °C(Predicted) |
| Density | 1.035±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 9.86±0.15(Predicted) |
| Physical state | Solid |
| Color | Pale Beige to Light Beige |
| InChI | InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 |
| InChIKey | AXVZFRBSCNEKPQ-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(CCNC)C=C1 |
| FDA UNII | G3S4E2F7TA |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319-H335-H302+H312+H332-H315 |
| GHS precautionary statements | P280-P301+P312-P362+P364 |
| Customs code | 2922290090 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Customs code | 2922290090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H319-H335-H302+H312+H332-H315 |
| GHS precautionary statements | P280-P301+P312-P362+P364 |
Applications & Uses
Uses
N-Methyltyramine is a protoalkaloid that can be isolated from various plant species. N-Methyltyramine is an α2-adrenoreceptor antagonist. N-Methyltyramine enhances appetite and digestion of foods by stimulating gastrin and pancreatic secretions. N-Methyltyramine can relax mouse small intestinal smooth muscle and inhibits small intestinal propulsion[1][2].