961-69-3

Name Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
CAS 961-69-3
EINECS(EC#) 213-510-5
Molecular Formula C14H16KNO4
MDL Number MFCD00137489
Molecular Weight 301.38
MOL File 961-69-3.mol
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Chemical Properties

Melting point  230-234 °C(lit.)
alpha  -78 º (c=1,1N HCl)
Boiling point  233.6℃[at 101 325 Pa]
density  1.275[at 20℃]
vapor pressure  0Pa at 25℃
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Water (Slightly)
form  Solid
color  White to Off-White
Stability: Hygroscopic
InChI InChI=1/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9+;/t13-;/s3
InChIKey QMWWAEFYIXXXQW-ULLCECHZNA-M
SMILES C1(C=CC=CC=1)[C@H](C([O-])=O)N/C(/C)=C/C(=O)OCC.[K+] |&1:6,r|
CAS DataBase Reference 961-69-3(CAS DataBase Reference)
EPA Substance Registry System 961-69-3(EPA Substance)

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WGK Germany  3
TSCA  TSCA listed
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