AG003U5P

944450-44-6 | RuCl2[(S)-(DM-SEGPHOS)][(S)-DAIPEN]

AG003U5P

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CAS Number	944450-44-6
Catalog Number	AG003U5P(AGN-PC-0WQUOU)
Chemical Name	RuCl2[(S)-(DM-SEGPHOS)][(S)-DAIPEN]
IUPAC Name	[4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium
InChI	InChI=1S/C46H44O4P2.C19H26N2O2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;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;;;/h9-24H,25-26H2,1-8H3;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2/t;18-;;;/m.0.../s1
InChI Key	UDSABKQFPIPYOT-OGLOXHGMSA-L
MDL Number	MFCD09753029
Molecular Formula	C65H70Cl2N2O6P2Ru
Molecular Weight	1209.1846
SMILES	[Cl-][Ru+2]12(P(C3=CC(C)=CC(C)=C3)(C4=CC(C)=CC(C)=C4)C5=C(C6=C(OCO6)C=C5)C7=C(C=CC8=C7OCO8)P1(C9=CC(C)=CC(C)=C9)C%10=CC(C)=CC(C)=C%10)(NC(C%11=CC=C(OC)C=C%11)(C%12=CC=C(OC)C=C%12)C(C(C)C)N2)[Cl-]
Synonyms	944450-44-6, MFCD10567024, DTXSID50746229, PUBCHEM_71310552, [RuCl2{(S)-dm-segphos}{(S)-daipen}], RuCl2[(S)-(DM-SEGPHOS(R))][(S)-DAIPEN], RuCl2[(S)-(DM-SEGPHOS®)][(S)-DAIPEN], Dichloro[(S)-(-)-5,5 inverted exclamation marka-bis[di(3,5-xylyl)phosphino]-4.4 inverted exclamation marka-bi-1,3-benzodioxole][(2S)-(+)-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine]ruthenium(II), Dichloro{(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}[(2S)-(+)-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine]ruthenium(II),

Complexity	1310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	1208.313g/mol
Formal Charge	0
Heavy Atom Count	78
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	1209.201g/mol
Monoisotopic Mass	1208.313g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H360-H371-H373-H402
Packing Group	Ⅲ
Precautionary statements	P201-P202-P260-P264-P270-P273-P280-P308+P311-P405-P501
UN Code	UN 2811

Certificate of Analysis

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