Dichloro[(4R,5R)-(-)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane][(R)-(+)-2-(α-methylmethanamine)-1H-benzimidazole]ruthenium(II)

Catalog Number	ACM1280732297-1
CAS	1280732-29-7
Synonyms	Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl][(S)-(+)-2-(α
Molecular Weight	831.71
Molecular Formula	C40H43Cl2N3O2P2Ru
Canonical SMILES	CC(C1=NC2=CC=CC=C2N1)N.CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C.Cl[Ru]Cl
InChI	InChI=1S/C31H32O2P2.C9H11N3.2ClH.Ru/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-6(10)9-11-7-4-2-3-5-8(7)12-9;/h3-22,29-30H,23-24H2,1-2H3;2-6H,10H2,1H3,(H,11,12);2*1H;/q;+2/p-2/t29-,30-;6-;/m01/s1
InChI Key	GMVFNIGEFXPZCB-KROWZFKTSA-L
Purity	95%
Appearance	Yellow brown powder
Complexity	690
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	3
Exact Mass	831.125097
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[C@H](C1=NC2=CC=CC=C2N1)N.CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C.Cl[Ru]Cl
Monoisotopic Mass	831.125097
Rotatable Bond Count	9
Topological Polar Surface Area	73.2 Ų