HuagongsheHuagongshe Chemistry Print Report · For research reference only
p-Methylphenethylamine
2-(P-TOLYL)ETHYLAMINE · 2-(p-Tolyl)ethanaMine · 2-(4-Methylphenyl)ethan-1-aMine · RARECHEM AL BW 0059 · 4-Methylphethylamine · 4-METHYLPHENETHYLAMIN · 4-METHYLPHENETHYLAMINE · P-METHYLPHENETHYLAMINE
Identifiers & Physical Properties
| CAS No. | 3261-62-9 |
|---|---|
| Molecular formula | C9H13N |
| Average molar mass | 135.21 g/mol |
| Monoisotopic mass | 135.10479942 g/mol |
| SMILES | Cc1ccc(CCN)cc1 |
| InChIKey | VKJXAQYPOTYDLO-UHFFFAOYSA-N |
| PubChem CID | 76751 |
| ChEMBL | CHEMBL103299 |
| EC No. | 221-865-2 |
| DTXSID | DTXSID70186305 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 82.7 |
| Pesticides | Fungicides |
| Melting point | 116°C (estimate) |
| Boiling point | 214 °C(lit.) |
| Density | 0.93 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.527(lit.) |
| Flash point | 195 °F |
| Solubility | Chloroform, Methanol (Slightly) |
| Physical state | Liquid |
| pKa (acidity coefficient) | 10.02±0.10(Predicted) |
| Color | Clear colorless to light yellow |
| Specific gravity | 0.930 |
| InChI | InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3 |
| InChIKey | VKJXAQYPOTYDLO-UHFFFAOYSA-N |
| SMILES | C1(CCN)=CC=C(C)C=C1 |
| CAS DataBase Reference | 3261-62-9(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 2APY7DEB6E |
| NIST Chemistry Reference | 2-(p-Tolyl)ethylamine(3261-62-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi,C |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39-37/39 |
| UN transport number | UN 2922 8/6.1/PG II |
| Water hazard class (WGK) | 3 |
| RTECS number | DA0306700 |
| Hazard class | CORROSIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | II |
| Customs code | 29215900 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (93.3%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | DA0306700 |
| UN transport number | UN 2922 8/6.1/PG II |
| Customs code | 29215900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,C |
| Safety statements (S) | 26-36/37/39-37/39 |
| Hazard class | CORROSIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Packing group | II |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-(p-Tolyl)ethylamine was used to prepare secondary amides by amidation of sophorolipid ethyl ester.