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Antioxidant 1098

CAT: 0024-sc-481828CSize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-481828CSize:1 g
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CAS Number
23128-74-7

Chemical Information

N,N'-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)

Irganox 1098 is an alkylbenzene.

CAS Number23128-74-7
PubChem CID90004
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide
Molecular FormulaC40H64N2O4
Molecular Weight636.9
XLogP10
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count46
Formal Charge0
Complexity811
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCCCCCNC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)
InChIKey
OKOBUGCCXMIKDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)
CAS: 23128-74-7
CID: 90004
Formula: C40H64N2O4
MW: 636.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.9
XLogP310
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass636.48660853
Monoisotopic Mass636.48660853
Topological Polar Surface Area98.7 Ų
Heavy Atom Count46
Formal Charge0
Complexity811
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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