169280-56-2

Name 4-AMINO-N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-N-ISOBUTYLBENZENE-1-SULFONAMIDE
CAS 169280-56-2
Molecular Formula C20H29N3O3S
MDL Number MFCD16251177
Molecular Weight 391.53
MOL File 169280-56-2.mol
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Chemical Properties

Melting point  136-139°C
Boiling point  609.1±65.0 °C(Predicted)
density  1.226±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly) DMSO (Slightly), Methanol (Slightly, Sonicated)
form  Solid
pka 11.99±0.45(Predicted)
color  White rto Off-White
InChI InChI=1S/C20H29N3O3S/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3/t19-,20+/m0/s1
InChIKey NUMJNKDUHFCFJO-VQTJNVASSA-N
SMILES C1(S(N(C[C@@H](O)[C@@H](N)CC2=CC=CC=C2)CC(C)C)(=O)=O)=CC=C(N)C=C1
CAS DataBase Reference 169280-56-2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P261-P280-P305+P351+P338-P304+P340
REACH Registrations Active

Hazard Information

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