HuagongsheHuagongshe Chemistry Print Report · For research reference only
N,N-dimethylpyridine-2-ethylamine
Betaxine impurity 9 · Betahistine Impurity 6 · Betahistine Impurity 10 · Ethyl Acetate Impurity 12 · 2-(2-Dimethylaminoethyl)pyridine · N,N-dimethylpyridine-2-ethylamine · N,N-Dimethylpyridine-2-ethanamine · N,N-Dimethyl-2-pyridineethanamine
Identifiers & Physical Properties
| CAS No. | 6304-27-4 |
|---|---|
| Molecular formula | C9H14N2 |
| Average molar mass | 150.22 g/mol |
| Monoisotopic mass | 150.11569845 g/mol |
| SMILES | CN(C)CCc1ccccn1 |
| InChIKey | FXHJGPDCPMCUKW-UHFFFAOYSA-N |
| PubChem CID | 80554 |
| EC No. | 228-608-3 |
| DTXSID | DTXSID00212328 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 16.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 102 |
| Storage conditions | Refrigerator, under inert atmosphere |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | pK1:3.46(+2)pK2:8.75(+1) (25°C) |
| Physical state | Oil |
| Color | Clear Colourless to Yellow |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302+H312+H332-H314 |
| GHS precautionary statements | P280-P309+P311 |
| Customs code | 2933399990 |
Safety & Regulations
| GHS classification | WarningH315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.5%) |
| Customs code | 2933399990 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| GHS hazard statements | H302+H312+H332-H314 |
| GHS precautionary statements | P280-P309+P311 |
Applications & Uses
Uses
2-(2-Dimethylaminoethyl)pyridine was used in the study of determining rapid calculation of polar molecular surface area in prediction of blood-brain barrier penetration.