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Structure

N,N'-Propane-1,3-diylbis[3-(3,5-dI-tert-butyl-4-hydroxyphenyl)propionamide]

CAS
69851-61-2
Catalog Number
ACM69851612-1
Category
Other Products
Molecular Weight
594.9
Molecular Formula
C37H58N2O4

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Specification

Synonyms
N,N'-1,3-Propanediylbis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)
IUPAC Name
3-(3,5-Ditert-butyl-4-hydroxyphenyl)-N-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propyl]propanamide
Canonical SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCCNC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)
InChI Key
KJEKRODBOPOEGG-UHFFFAOYSA-N
Boiling Point
711.0±60.0 °C
Density
1.036±0.06 g/cm3
Complexity
768
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
594.43965834
Formal Charge
0
Heavy Atom Count
43
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
594.43965834
Physical State
Solid
Rotatable Bond Count
14
Topological Polar Surface Area
98.7 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
July 19, 2023


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