AG003C6O

944451-08-5 | (R)-[(RuCl(DM-BINAP))₂(μ-Cl)₃][NH₂Me₂]

AG003C6O

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CAS Number	944451-08-5
Catalog Number	AG003C6O(AGN-PC-0W41P9)
Chemical Name	(R)-[(RuCl(DM-BINAP))₂(μ-Cl)₃][NH₂Me₂]
IUPAC Name	[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
InChI	InChI=1S/2C52H48P2.C2H7N.5ClH.2Ru/c2*1-33-21-34(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;1-3-2;;;;;;;/h2*9-32H,1-8H3;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1
InChI Key	LJSDQAUPXVWQNF-UHFFFAOYSA-M
MDL Number	MFCD09753035
Molecular Formula	C106H107Cl5NP4Ru2
Molecular Weight	1899.2985
SMILES	CNC.[Cl-][Ru+2]12([Cl-][Ru+2]34([Cl-])(P(C5=CC(C)=CC(C)=C5)(C6=CC(C)=CC(C)=C6)C7=CC=C(C=CC=C8)C8=C7C9=C(C=CC=C%10)C%10=CC=C9P4(C%11=CC(C)=CC(C)=C%11)C%12=CC(C)=CC(C)=C%12)[Cl-]2)([Cl-]3)P(C%13=CC(C)=CC(C)=C%13)(C%14=CC(C)=CC(C)=C%14)C%15=CC=C(C=CC=C%16)C%16=C%15C%17=C(C=CC=C%18)C%18=CC=C%17P1(C%19=CC(C)=CC(C)=C%19)C%20=CC(C)=CC(C)=C%20.[H+]
Synonyms	(R)-[(RUCL(DM-BINAP))2(MU-CL)3][NH2ME2], (S)-[(RUCL(DM-BINAP))2(MU-CL)3][NH2ME2], 944451-08-5, 944451-10-9, DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(R)-(+)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL]DIRUTHENATE(II), DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(S)-(-)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL]DIRUTHENATE(II), SC10186, NH2ME2][(RUCL((R)-XYLBINAP))2(MU-CL)3, NH2ME2][(RUCL((S)-XYLBINAP))2(MU-CL)3, (R)-[(RuCl(DM-BINAP))2(|I-Cl)3][NH2Me2], (S)-[(RuCl(DM-BINAP))2(|I-Cl)3][NH2Me2], Dimethylammonium dichlorotri(|I-chloro)bis[(R)-(+)-2,2 inverted exclamation marka-bis[di(3,5-xylyl)phosphino]-1,1 inverted exclamation marka-binaphthyl]diruthenate(II), Dimethylammonium dichlorotri(|I-chloro)bis[(S)-(-)-2,2 inverted exclamation marka-bis[di-(3,5-xylyl)phosphino]-1,1 inverted exclamation marka-binaphthyl]diruthenate(II), Dimethylammonium dichlorotri(mu-chloro)bis{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}diruthenate(II), [NH2Me2][{RuCl((R)-xylbinap)}2(mu-Cl)3],

Complexity	1010
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1901.39g/mol
Formal Charge	1
Heavy Atom Count	118
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	1898.314g/mol
Monoisotopic Mass	1896.388g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228
Packing Group	Ⅲ
Precautionary statements	P210
UN Code	UN 1325

Certificate of Analysis

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