Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID50893747

Structure

InChI Key LKOQTCXPJVIMFO-UHFFFAOYSA-N
Smiles CN(CCOC(=O)C1=CC=C(C=C1)N(C)C)CCOC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C23H31N3O4/c1-24(2)20-10-6-18(7-11-20)22(27)29-16-14-26(5)15-17-30-23(28)19-8-12-21(13-9-19)25(3)4/h6-13H,14-17H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H31N3O4
Molecular Weight 413.23
AlogP 2.76
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 62.32
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 925246-00-0
NORMAN SUSDAT
PubChem 59593952