641-39-4

Name ALLOMATRINE
CAS 641-39-4
Molecular Formula C15H24N2O
Molecular Weight 248.36
MOL File 641-39-4.mol
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Chemical Properties

Melting point  106-107 ºC
Boiling point  396.7±31.0 °C(Predicted)
density  1.16
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 9.47±0.20(Predicted)
color  White to off-white
InChI InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15+/m0/s1
InChIKey ZSBXGIUJOOQZMP-KYEXWDHISA-N
SMILES N12CCC[C@]3([H])[C@]1([H])[C@@]([H])([C@@]1([H])CCCC(=O)N1C3)CCC2

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