1161415-28-6

Name 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1,4-bis(1,1-dimethylethyl) ester
CAS 1161415-28-6
Molecular Formula C20H37N3O6
MDL Number MFCD32706549
Molecular Weight 415.52
MOL File 1161415-28-6.mol
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Chemical Properties

Boiling point  519.9±50.0 °C(Predicted)
density  1.095±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly)
form  Solid
pka 4.37±0.10(Predicted)
color  Pale Yellow to Yellow
Stability: Hygroscopic
InChI InChI=1S/C20H37N3O6/c1-19(2,3)28-17(26)14-22-9-7-21(13-16(24)25)8-10-23(12-11-22)15-18(27)29-20(4,5)6/h7-15H2,1-6H3,(H,24,25)
InChIKey UACSRZWSADEYPK-UHFFFAOYSA-N
SMILES C(N1CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)O)C(=O)OC(C)(C)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Hazard Information

Spectrum Detail

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