129970-98-5

Name (S)-Ethyl 2-((3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoate ,95%
CAS 129970-98-5
Molecular Formula C19H30N2O4
MDL Number MFCD26967878
Molecular Weight 350.45
MOL File 129970-98-5.mol
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Chemical Properties

Melting point  98-101°C
Boiling point  526.1±50.0 °C(Predicted)
density  1.17±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Sparingly)
form  Solid
pka -1.15±0.40(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI 1S/C19H30N2O4/c1-4-8-15(19(24)25-5-2)20-12(3)17(22)21-14-10-7-6-9-13(14)11-16(21)18(20)23/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15-,16-/m0/s1
InChIKey BSZZSBSELAVBAG-QXKUPLGCSA-N
SMILES N21[C@@H]3[C@H](C[C@H]2C(=O)N([C@H](C1=O)C)[C@@H](CCC)C(=O)OCC)CCCC3

Safety Data

WGK Germany  WGK 3
HS Code  2933999552
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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