CAS: | 899821-23-9 |
MF: | C16H19ClN2O |
MW: | 290.79 |
EINECS: | 200-510-5 |
Product Categories: | 899821-23-9 |
Mol File: | 899821-23-9.mol |
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ACP-105 Chemical Properties |
Melting point | 160 °C |
Boiling point | 479.8±45.0 °C(Predicted) |
density | 1.28±0.1 g/cm3(Predicted) |
storage temp. | Refrigerator |
solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
form | Solid |
pka | 14.78±0.20(Predicted) |
color | Off-White to Pale Beige |
InChI | InChI=1/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13+,16+ |
InChIKey | OUEODVPKPRQETQ-VIKVFOODNA-N |
SMILES | CC1C(=C(C#N)C=CC=1N1[C@@H]2C[C@](O)(C)C[C@H]1CC2)Cl |&1:10,12,16,r| |
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