| Melting point |
40-42 °C(lit.) |
| alpha |
[α]D20 -18～-22° (c=1, C2H5OH) |
| Boiling point |
250 °C150 mm Hg(lit.) |
| Density |
1.1102 (rough estimate) |
| refractive index |
1.7110 (estimate) |
| Flash point |
>230 °F |
| storage temp. |
Sealed in dry,2-8°C |
| solubility |
Chloroform (Sparingly), DMSO (Slightly), Methanol (Sparingly) |
| form |
Solid |
| pka |
4.72±0.12(Predicted) |
| color |
Colourless to Very Dark Orange Oil |
| optical activity |
[α]/D -21±2°, c = 1 in ethanol |
| Water Solubility |
Not miscible or difficult to mix in water. Soluble in dimethyl sulfoxide (100 mM), ethanol (50 mg/ml, yielding a clear, faint yellow to yellow solution), methanol and chloroform. |
| Merck |
14,2553 |
| BRN |
83099 |
| Henry's Law Constant |
3.0×106 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stability |
Stable. Incompatible with strong oxidizing agents. May be heat sensitive - store cold. |
| InChI |
1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 |
| InChIKey |
UIKROCXWUNQSPJ-VIFPVBQESA-N |
| SMILES |
CN1[C@@H](CCC1=O)c2cccnc2 |
| EPA Substance Registry System |
Cotinine (486-56-6) |
