78521-39-8

Name 6-[[(4-methylphenyl)sulphonyl]amino]hexanoic acid
CAS 78521-39-8
EINECS(EC#) 278-934-5
Molecular Formula C13H19NO4S
MDL Number MFCD00177935
Molecular Weight 285.359
MOL File 78521-39-8.mol
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Chemical Properties

Melting point  106-108 °C
Boiling point  475.2±55.0 °C(Predicted)
density  1.175[at 20℃]
vapor pressure  0Pa at 20℃
storage temp.  2-8°C
pka 4.44[at 20 ℃]
Water Solubility  317mg/L at 25℃
InChI InChI=1S/C13H19NO4S/c1-11-6-8-12(9-7-11)19(17,18)14-10-4-2-3-5-13(15)16/h6-9,14H,2-5,10H2,1H3,(H,15,16)
InChIKey GLKZGJGPYOFPKV-UHFFFAOYSA-N
SMILES C(O)(=O)CCCCCNS(C1=CC=C(C)C=C1)(=O)=O
LogP 1.96 at 20℃
EPA Substance Registry System Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- (78521-39-8)

Safety Data

TSCA  TSCA listed
REACH Registrations Active

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