[1-[2-Bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;chlororuthenium(1+);(2S)-1-(4-methoxybenzene-6-id-1-yl)-1-(4-methoxyphenyl)-3-methylbutane-1,2-diamine

Catalog Number	ACM1312713895-1
CAS	1312713-89-5
Synonyms	(S)-RUCY(regR)-XylBINAP
Molecular Weight	1184.84
Molecular Formula	C71H73ClN2O2P2Ru
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC(C)C(C(C1=CC=C(C=C1)OC)(C2=[C-]C=C(C=C2)OC)N)N.Cl[Ru+]
InChI	InChI=1S/C52H48P2.C19H25N2O2.ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;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;;/h9-32H,1-8H3;5-7,9-13,18H,20-21H2,1-4H3;1H;/q;-1;+2/p-1/t;18-,19;/m0/s1
InChI Key	IQWRCNFONDXTCS-UCPQXOCLSA-M
Purity	99%
Appearance	Solid
Exact Mass	1184.387922
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC(C)[C@@H](C(C1=CC=C(C=C1)OC)(C2=[C-]C=C(C=C2)OC)N)N.Cl[Ru+]
Monoisotopic Mass	1184.387922
Rotatable Bond Count	13
Topological Polar Surface Area	70.5 Ų