HuagongsheHuagongshe Chemistry Print Report · For research reference only
N,N-Diethyl-2-propanamine
N，N-diethyl-N-isopropylamine · N,N-diethylpropan-2-amine · Lidocaine Impurity 12 · N-Isopropyldiethylamine · 2-PropanaMine,N,N-diethyl- · N,N-Diethyl isopropyl amine · N.N-Diethyl lsopropyl Amine
Identifiers & Physical Properties
| CAS No. | 6006-15-1 |
|---|---|
| Molecular formula | C7H17N |
| Average molar mass | 115.22 g/mol |
| Monoisotopic mass | 115.13609954 g/mol |
| SMILES | CCN(CC)C(C)C |
| InChIKey | ULWOJODHECIZAU-UHFFFAOYSA-N |
| PubChem CID | 521913 |
| EC No. | 611-931-2 |
| DTXSID | DTXSID40208785 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 3.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 46.3 |
| Melting point | 131-132℃ |
| Boiling point | 105℃ |
| Density | 0.759 |
| Refractive index | 1.4041 |
| Flash point | 6℃ |
| pKa (acidity coefficient) | 10.69±0.25(Predicted) |
| Henry's law constant | 7.7×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |