4-Methylbenzylamine
p-TolylMethanaMine · P-XYLYLAMINE · P-METHYLBENZYLAMINE · NSC 66562 · 4-Xylylamine · α-Amino-p-xylene · AKOS BBS-00003622 · 4-METHYBENZYLAMINE
Identifiers & Physical Properties
| CAS No. | 104-84-7 |
|---|---|
| Molecular formula | C8H11N |
| Average molar mass | 121.18 g/mol |
| Monoisotopic mass | 121.08914936 g/mol |
| SMILES | Cc1ccc(CN)cc1 |
| InChIKey | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
| PubChem CID | 66035 |
| ChEMBL | CHEMBL273483 |
| EC No. | 203-243-2 |
| DTXSID | DTXSID2059306 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 72 |
| Melting point | 12-13 °C(lit.) |
| Boiling point | 195 °C(lit.) |
| Density | 0.952 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.534(lit.) |
| Flash point | 167 °F |
| Storage conditions | Keep in dark place,Sealed in dry,2-8°C |
| Physical state | Liquid |
| pKa (acidity coefficient) | 9.21±0.10(Predicted) |
| Color | Clear colorless to slightly yellow |
| Solubility | slightly soluble |
| Sensitivity | Air Sensitive |
| BRN | 956670 |
| InChI | 1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3 |
| InChIKey | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
| SMILES | Cc1ccc(CN)cc1 |
| CAS DataBase Reference | 104-84-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenemethanamine, 4-methyl-(104-84-7) |
| EPA Substance Registry System | Benzenemethanamine, 4-methyl- (104-84-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 2735 8/PG 2 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Skin Corr. 1B |
| Packing group | III |
| Customs code | 29214980 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
|---|---|
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 2735 8/PG 2 |
| Customs code | 29214980 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| GHS hazard statements | H314 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
Applications & Uses
Uses
4-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants. 4-Methylbenzylamine has been shown to stimulate food consumption and cou nteract the hypophagic effects of amphetamine acting on brain Shaker-like Kv1.1 channels.
Uses
The reactions of 1-hexanol with benzylamine and with 4-methylbenzylamine led to the corresponding imines in moderate yields. 4-methylbenzylamine in ethanol/water solution (1:4) as simultaneously absorbing and buffering background electrolyte with detection at 210 nm was found suitable for determination of the individual compounds in determination by capillary zone electrophoresis with indirect detection. Synthesis of benzimidazoles uses 4-methylbenzylamine (R 1 =4-MeBn) and 4-chlorophenyl isothiocyanate (R 2 =4-ClPh) as building blocks.