(1R,2R)-(-)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)]manganese (III) chloride

Catalog Number	ACM138124320
CAS	138124-32-0
Structure
Synonyms	(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylid ene)-1,2-cyclohexanediamino-manganese(I)chloride
Molecular Weight	635.22
Molecular Formula	C36H52ClMnN2O2
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-].[Cl-].[Mn+3]
InChI	InChI=1S/C36H54N2O2.ClH.Mn/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;1H;/q;+3/p-3/t29-,30-;/m1/s1
InChI Key	LJVAWOSDJSQANR-SEILFYAJSA-K
Melting Point	330-332 °C
Purity	98%
Appearance	Brown powder
Complexity	793
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Exact Mass	634.309775
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
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-].[Cl-].[Mn+3]
Monoisotopic Mass	634.309775
Rotatable Bond Count	8
Topological Polar Surface Area	70.8 Ų