N-[3-(TETRADECYLOXY)PROPYL]PROPANE-1,3-DIAMINE ACETATE

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

Structure

InChI Key QIVCZDWOQMMPPU-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCOCCCNCCCN.CC(=O)O
InChI
InChI=1/C20H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21;1-2(3)4/h22H,2-21H2,1H3;1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H48N2O3
Molecular Weight 388.37
AlogP 5.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 20.0
Polar Surface Area 84.58
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 68189-45-7
NORMAN SUSDAT
CONTENTS