(R,R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine

Catalog Number	ACM135616409-1
CAS	135616-40-9
Structure
Synonyms	(R,R)-Jacobsen's ligand
IUPAC Name	2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
Molecular Weight	546.83
Molecular Formula	C36H54N2O2
Canonical SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
InChI	FYNXDGNCEBQLGC-LOYHVIPDSA-N
InChI Key	InChI=1S/C36H54N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h17-22,29-30,39-40H,13-16H2,1-12H3/t29-,30-/m1/s1
Boiling Point	646.3 °C at 760 mmHg
Melting Point	205-207 °C-lit.
Purity	97%
Appearance	Yellow solid
Exact Mass	546.41852897
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
Monoisotopic Mass	546.41852897
Rotatable Bond Count	8
Topological Polar Surface Area	65.2 Ų