AG003BJJ

539834-16-7 | 2,4-di-tert-butyl-6-[(E)-{[(1S,2S,4S,5S)-5-[(E)-[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]bicyclo[2.2.1]heptan-2-yl]imino}methyl]phenol

AG003BJJ

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CAS Number	539834-16-7
Catalog Number	AG003BJJ(AGN-PC-0SG6IK)
Chemical Name	2,4-di-tert-butyl-6-[(E)-{[(1S,2S,4S,5S)-5-[(E)-[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]bicyclo[2.2.1]heptan-2-yl]imino}methyl]phenol
IUPAC Name	2,4-ditert-butyl-6-[[(1S,2S,4S,5S)-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
InChI	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/t22-,23-,30-,31-/m0/s1
InChI Key	WDMYJUKMBXUTIA-FPACPZPDSA-N
MDL Number	MFCD08276290
Molecular Formula	C37H54N2O2
Molecular Weight	558.8369
SMILES	CC(C)(C)c1cc(C=N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3N=Cc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C
Synonyms	539834-16-7, (1S,2S,4S,5S)-2,5-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneamino)bicyclo[2.2.1]heptane, 6,6'-((1E,1'E)-((1S,2S,4S,5S)-Bicyclo[2.2.1]heptane-2,5-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol), CTK1G8625, ANW-31906, ZINC72099454, AKOS015837807, RTR-019075, N,N'-Bis(3,5-di-tert-butylsalicylidene)-2beta,5beta-methanocyclohexane-1alpha,4alpha-diamine, CID11467095, CID 11318946, -2,5-BIS BICYCLO[2.2.1]HEPTANE, (1S,2S,4S,5S)-2,5-Bis(3,5-di-|tert|-butyl-2-hydroxybenzylideneamino)bicyclo[2.2.1]heptane,

Complexity	866
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	558.419g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	558.851g/mol
Monoisotopic Mass	558.419g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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