HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(3-Chloropropyl)-3,4-dimethoxy-N-methylphenethylamine
SR-45813 · Verapamil Impurity D · Verapamil EP Impurity · Verapamil EP Impurity D · verapamil impurities877 · Verapamil EP Impurity D HCl · 3-Chloro-N-[2-(3,4-dimethoxyphenyl) · Verapamil Hydrochloride EP Impurity D
Identifiers & Physical Properties
| CAS No. | 36770-74-8 |
|---|---|
| Molecular formula | C14H22ClNO2 |
| Average molar mass | 271.78 g/mol |
| Monoisotopic mass | 271.13390662 g/mol |
| SMILES | COc1ccc(CCN(C)CCCCl)cc1OC |
| InChIKey | HJBBKVHYQQUPQW-UHFFFAOYSA-N |
| PubChem CID | 577693 |
| EC No. | 253-198-8 |
| DTXSID | DTXSID001192363 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 21.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 8 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 216 |
| Boiling point | 69-70 °C(Press: 0.005 Torr) |
| Density | 1.066±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator, under inert atmosphere |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 8.80±0.50(Predicted) |
| Physical state | White to Off-White Semi-Solid |
| Major applications | pharmaceutical |
| FDA UNII | 1RK3H74O3Y |
| UNSPSC Code | 41116107 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501 |
| Water hazard class (WGK) | WGK 3 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 Oral |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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. |
|---|---|
| Water hazard class (WGK) | WGK 3 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302 |
| Hazard class | Acute Tox. 4 Oral |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501 |
Applications & Uses
Uses
N-(3-Chloropropyl)-3,4-dimethoxy-N-methylbenzeneethanamine (Verapamil EP Impurity D) is a reagent in the synthesis of Zatebradine, an anti-anginal agent.