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529-38-4

Name COCAETHYLENE
CAS 529-38-4
EINECS(EC#) 200-835-2
Molecular Formula C18H23NO4
MDL Number MFCD00871900
Molecular Weight 317.38
MOL File 529-38-4.mol
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Chemical Properties

Appearance Crystalline Solid
Melting point  1090C
Boiling point  408.8±45.0 °C(Predicted)
density  1.20±0.1 g/cm3(Predicted)
Fp  2 °C
storage temp.  2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly)
form  Solid
pka 9.04±0.60(Predicted)
color  Whitee to Off-White
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
InChIKey NMPOSNRHZIWLLL-XUWVNRHRSA-N
SMILES [C@@]12([H])N(C)[C@@]([H])(CC1)C[C@H](OC(=O)C1=CC=CC=C1)[C@@H]2C(OCC)=O
EPA Substance Registry System 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)- (529-38-4)

Safety Data

Hazard Codes  T,Xn,F
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  CL5602980

Hazard Information

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