HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Methoxy-N-methylbenzylamine
3-METHOXY-N-METHYLBE · Diclofensine Impurity 1 · (3-methoxybenzyl)methylamine · N-Methyl-3-MethoxybenzylaMine · 3-Methoxy-N-methylbenzylamine · N-(3-METHOXYBENZYL)-N-METHYLAMINE · 3-Methoxy-N-methylbenzylamine 97 · (3-Methoxyphenyl)-N-MethylMethanaMine
Identifiers & Physical Properties
| CAS No. | 41789-95-1 |
|---|---|
| Molecular formula | C9H13NO |
| Average molar mass | 151.21 g/mol |
| Monoisotopic mass | 151.09971404 g/mol |
| SMILES | CNCc1cccc(OC)c1 |
| InChIKey | FIFKRPFWLHBMHL-UHFFFAOYSA-N |
| PubChem CID | 5152225 |
| EC No. | 627-600-0 |
| DTXSID | DTXSID90408899 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 21.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 106 |
| Boiling point | 130-133 °C28 mm Hg(lit.) |
| Density | 1.014 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5290(lit.) |
| Flash point | 212 °F |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Soluble in chloroform, dichloromethane, ethyl acetate and methanol. |
| pKa (acidity coefficient) | 9.65±0.10(Predicted) |
| Physical state | Liquid |
| Sensitivity | Air Sensitive |
| InChI | 1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3 |
| InChIKey | FIFKRPFWLHBMHL-UHFFFAOYSA-N |
| SMILES | CNCc1cccc(OC)c1 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H317-H318 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn |
| Risk statements (R) | 22-41-43 |
| Safety statements (S) | 26-36/37/39 |
| Water hazard class (WGK) | 2 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Sens. 1 |
| Customs code | 2922290090 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Sens. 1 (100%)Eye Dam. 1 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 2 |
| Customs code | 2922290090 |
| Risk statements (R) | 22-41-43 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Sens. 1 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H302-H317-H318 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Uses
3-Methoxy-N-methylbenzylamine is used as an intermediate in the synthesis of diclofensine hydrochloride.