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6,6'-(((1R,2R,4R,5R)-Bicyclo[2.2.1]heptane-2,5-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol)

Catalog Number ACM539834190-1
CAS 539834-19-0
Structure 6,6'-(((1R,2R,4R,5R)-Bicyclo[2.2.1]heptane-2,5-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol)
Synonyms (1R,2R,4R,5R)-2,5-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneamino)bicyclo[2.2.1]heptane; 2,2'-[(1R,2R,4R,5R)-Bicyclo[2.2.1]heptane-2,5-diylbis(nitrilomethylidyne)]bis[4,6-bis(1,1-dimethylethyl)phenol
IUPAC Name 2,4-ditert-butyl-6-[[5-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
Molecular Weight 558.84
Molecular Formula C37H54N2O2
Canonical SMILES CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CC3CC2CC3N=CC4=C(C(=CC(=C4)C(C)(C)C)C(C)(C)C)O
InChI WDMYJUKMBXUTIA-UHFFFAOYSA-N
InChI Key InChI=1S/C37H54N2O2/c1-34(2,3)26-14-24(32(40)28(18-26)36(7,8)9)20-38-30-16-23-13-22(30)17-31(23)39-21-25-15-27(35(4,5)6)19-29(33(25)41)37(10,11)12/h14-15,18-23,30-31,40-41H,13,16-17H2,1-12H3
Boiling Point 625.1±55.0 °C(Predicted)
Melting Point 252 °C
Purity 98%
Exact Mass 558.41852897
Heavy Atom Count 41
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
Monoisotopic Mass 558.41852897
Rotatable Bond Count 8
Topological Polar Surface Area 65.2 Ų

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