bis((3-aminopropyl)diphenylphosphane); dichlororuthenium

• ChemBase ID: 143032
• Molecular Formular: C30H36Cl2N2P2Ru
• Molecular Mass: 658.543762
• Monoisotopic Mass: 658.07742678
• SMILES: c1ccc(cc1)P(CCCN)c1ccccc1.c1ccc(cc1)P(CCCN)c1ccccc1.Cl[Ru]Cl
• Canonical SMILES: NCCCP(c1ccccc1)c1ccccc1.NCCCP(c1ccccc1)c1ccccc1.Cl[Ru]Cl
• InChI: InChI=1S/2C15H18NP.2ClH.Ru/c2*16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;;;/h2*1-6,8-11H,7,12-13,16H2;2*1H;/q;;;;+2/p-2
• InChIKey: MLZFSEGMJUGESY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((3-aminopropyl)diphenylphosphane); dichlororuthenium
• IUPAC Traditional name: bis((3-aminopropyl)diphenylphosphane); dichlororuthenium
• Synonyms: Dichlorobis(3-(diphenylphosphino)propylamine)ruthenium(II); 二氯双(3-(二苯基膦)丙胺)钌(II)

Database IDs

• MDL Number: MFCD15144861
• PubChem SID: 162237256
• PubChem CID: 71310857

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4647636
• LogD (pH = 7.4): 0.6809775
• Log P: 2.9014
• Molar Refractivity: 74.5621 cm^3
• Polarizability: 29.764063 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 290 °C (dec.)

Safety Information

• German water hazard class: nwg

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C30H36Cl2N2P2Ru

DETAILS

Sigma Aldrich - 716804

Packaging
250 mg in glass bottle
Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.