1,3,5-TRIS(3,5-DI-TERT-BUTYL-4- HYDROXYHYDROCINNAMOYL)HEXAHYDRO-S- TRIAZINE

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID1051303

Structure

InChI Key VMDYMJSKWCVEEB-UHFFFAOYSA-N
Smiles CC(C)(C)C1=CC(CCC(=O)N2CN(CN(C2)C(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
InChI
InChI=1S/C54H81N3O6/c1-49(2,3)37-25-34(26-38(46(37)61)50(4,5)6)19-22-43(58)55-31-56(44(59)23-20-35-27-39(51(7,8)9)47(62)40(28-35)52(10,11)12)33-57(32-55)45(60)24-21-36-29-41(53(13,14)15)48(63)42(30-36)54(16,17)18/h25-30,61-63H,19-24,31-33H2,1-18H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C54H81N3O6
Molecular Weight 867.61
AlogP 11.16
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 121.62
Heavy Atoms 63.0

Cross References

Resources Reference
CAS NUMBER 26175-70-2
NORMAN SUSDAT
PubChem 21885515
CONTENTS