(2S)-1,1-Bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

Catalog Number	ACM212143243-1
CAS	212143-24-3
Structure
Synonyms	Dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(2S)-(+)-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine]ruthenium(II) dichloromethane adduct
Molecular Weight	1109.1
Molecular Formula	C63H58Cl2N2O2P2Ru
Canonical SMILES	CC(C)C(C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
InChI	InChI=1S/C44H32P2.C19H26N2O2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;/h1-32H;5-13,18H,20-21H2,1-4H3;2*1H;/q;+2/p-2/t;18-;/m0/s1
InChI Key	ZVVRWLPQKLDJRW-OGLOXHGMSA-L
Melting Point	>100 °C
Purity	95%+
Appearance	Powder
Exact Mass	1108.239399
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(C)[C@@H](C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
Monoisotopic Mass	1108.239399
Rotatable Bond Count	13
Topological Polar Surface Area	70.5 Ų