SILVEX, TRIISOPROPANOLAMINE SALT

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key GCRPYRGGTDLAOS-UHFFFAOYSA-N
Smiles CC(CO)[NH+](C(C)CO)C(C)CO.CC(Oc1cc(Cl)c(Cl)cc1Cl)C([O-])=O
InChI
InChI=1S/C9H21NO3/c1-7(4-11)10(8(2)5-12)9(3)6-13/h7-9,11-13H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1O3
Molecular Weight 191.15
AlogP -0.57
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 63.93
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 53404-75-4
NORMAN SUSDAT
CONTENTS