Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID70869505

Structure

InChI Key KZURVTKPVNKEKH-UHFFFAOYSA-N
Smiles CC1(C)CC(CC(C)(C)N1)N1CN2C3C4N(CN(CN4C(=O)N3C1)C1CC(C)(C)NC(C)(C)C1)C2=O
InChI
InChI=1S/C26H46N8O2/c1-23(2)9-17(10-24(3,4)27-23)29-13-31-19-20-33(21(31)35)15-30(16-34(20)22(36)32(19)14-29)18-11-25(5,6)28-26(7,8)12-18/h17-20,27-28H,9-16H2,1-8H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H46N8O2
Molecular Weight 502.37
AlogP 2.19
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 77.64
Heavy Atoms 36.0

Cross References

Resources Reference
CAS NUMBER 109423-00-9
NORMAN SUSDAT
PubChem 1097427