Dichloro[(4S,5S)-(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane][(S)-(-)-2-(i-propyl)methanamine)-1H-benzimidazole]ruthenium(II)

Catalog Number	ACM1443051975-1
CAS	1443051-97-5
Synonyms	(1S)-1-(1H-Benzimidazol-2-yl)-2-methylpropan-1-amine;dichlororuthenium;[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
Molecular Weight	859.76
Molecular Formula	C42H47Cl2N3O2P2Ru
Canonical SMILES	CC(C)C(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.C11H15N3.2ClH.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;1-7(2)10(12)11-13-8-5-3-4-6-9(8)14-11;/h3-22,29-30H,23-24H2,1-2H3;3-7,10H,12H2,1-2H3,(H,13,14);2*1H;/q;+2/p-2/t29-,30-;10-;/m10/s1
InChI Key	QSACDIOLKHLTFP-RVHSTDQRSA-L
Purity	95%
Appearance	Yellow brown powder
Complexity	723
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	3
Exact Mass	859.156397
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(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	859.156397
Rotatable Bond Count	10
Topological Polar Surface Area	73.2 Ų