(2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine; 4-(diphenylphosphanyl)-3-[4-(diphenylphosphanyl)-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridine; dichlororuthenium

• ChemBase ID: 297348
• Molecular Formular: C57H60Cl2N4O6P2Ru
• Molecular Mass: 1131.033022
• Monoisotopic Mass: 1130.24086328
• SMILES: c1(nc(c(c(c1)P(c1ccccc1)c1ccccc1)c1c(nc(cc1P(c1ccccc1)c1ccccc1)OC)OC)OC)OC.c1(ccc(cc1)C(c1ccc(cc1)OC)([C@H](N)C(C)C)N)OC.[Ru](Cl)Cl
• Canonical SMILES: COc1nc(OC)c(c(c1)P(c1ccccc1)c1ccccc1)c1c(OC)nc(cc1P(c1ccccc1)c1ccccc1)OC.COc1ccc(cc1)C([C@@H](C(C)C)N)(c1ccc(cc1)OC)N.Cl[Ru]Cl
• InChI: InChI=1S/C38H34N2O4P2.C19H26N2O2.2ClH.Ru/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30;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;;;/h5-26H,1-4H3;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2/t;18-;;;/m.1.../s1
• InChIKey: KZMSWJMBTPMPEL-OEGAAENXSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine; 4-(diphenylphosphanyl)-3-[4-(diphenylphosphanyl)-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridine; dichlororuthenium
• IUPAC Traditional name: (2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine; 4-(diphenylphosphanyl)-3-[4-(diphenylphosphanyl)-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridine; dichlororuthenium
• Synonyms: Dichloro[(R)-4,4'-bis(diphenylphosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine][(R)-Daipen]ruthenium(II); (R)-P-Phos RuCl2 (R)-Daipen

Database IDs

• CAS Number: 1036379-67-5
• MDL Number: MFCD16294971
• PubChem SID: 180682879
• PubChem CID: 73995191

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 9.010602
• LogD (pH = 7.4): 9.0107975
• Log P: 9.0108
• Molar Refractivity: 185.117 cm^3
• Polarizability: 73.41193 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: Ru 9.0%