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899821-23-9

Name ACP-105
CAS 899821-23-9
EINECS(EC#) 200-510-5
Molecular Formula C16H19ClN2O
MDL Number MFCD31692380
Molecular Weight 290.79
MOL File 899821-23-9.mol

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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