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82354-38-9

Name humantenmine
CAS 82354-38-9
Molecular Formula C19H22N2O3
MDL Number MFCD20260333
Molecular Weight 326.39
MOL File 82354-38-9.mol
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Chemical Properties

Boiling point  463.6±55.0 °C(Predicted)
density  1.44±0.1 g/cm3(Predicted)
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Cryst.
pka 7.17±0.20(Predicted)
color  Off-white to light yellow
InChI InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1
InChIKey BIGABVPVCRHEES-NWPJSNQLSA-N
SMILES N1(OC)C2=C(C=CC=C2)[C@@]2([C@@]3([H])C[C@@]4([H])C(CC)=N[C@@]([H])(C2)[C@@]4([H])CO3)C1=O

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