100632-58-4

Name N-Ethyl-N-heptyl-4-[(4-Mesylamino)phenyl]-4-oxobutanamide
CAS 100632-58-4
Molecular Formula C20H32N2O4S
MDL Number MFCD09839032
Molecular Weight 396.54
MOL File 100632-58-4.mol
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Chemical Properties

Melting point  102-103 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point  566.1±60.0 °C(Predicted)
density  1.141±0.06 g/cm3(Predicted)
storage temp.  2-8°C
pka 7.19±0.10(Predicted)
Major Application pharmaceutical (small molecule)
pharmaceutical
InChI 1S/C20H32N2O4S/c1-4-6-7-8-9-16-22(5-2)20(24)15-14-19(23)17-10-12-18(13-11-17)21-27(3,25)26/h10-13,21H,4-9,14-16H2,1-3H3
InChIKey IJUIQGJHHJVHKP-UHFFFAOYSA-N
SMILES [S](=O)(=O)(Nc1ccc(cc1)C(=O)CCC(=O)N(CCCCCCC)CC)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
WGK Germany  WGK 3
HS Code  2935909550
Storage Class 11 - Combustible Solids

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