bis((2-aminoethyl)bis(propan-2-yl)phosphane); dichlororuthenium

• ChemBase ID: 143173
• Molecular Formular: C16H40Cl2N2P2Ru
• Molecular Mass: 494.425722
• Monoisotopic Mass: 494.10872691
• SMILES: CC(C)P(CCN)C(C)C.CC(C)P(CCN)C(C)C.Cl[Ru]Cl
• Canonical SMILES: NCCP(C(C)C)C(C)C.NCCP(C(C)C)C(C)C.Cl[Ru]Cl
• InChI: InChI=1S/2C8H20NP.2ClH.Ru/c2*1-7(2)10(6-5-9)8(3)4;;;/h2*7-8H,5-6,9H2,1-4H3;2*1H;/q;;;;+2/p-2
• InChIKey: HINVYXXIKGEKJI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((2-aminoethyl)bis(propan-2-yl)phosphane); dichlororuthenium
• IUPAC Traditional name: bis((2-aminoethyl)diisopropylphosphane); dichlororuthenium
• Synonyms: Dichlorobis(2-(diisopropylphosphino)-ethylamine)ruthenium(II); 二氯双(2-(二异丙基膦)-乙胺)钌(II)

Database IDs

• CAS Number: 1092372-90-1
• MDL Number: MFCD07782005
• PubChem SID: 162237394
• PubChem CID: 71310888

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7565892
• LogD (pH = 7.4): -1.8070513
• Log P: 1.0983
• Molar Refractivity: 53.342 cm^3
• Polarizability: 19.725266 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154-157 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H40Cl2N2P2Ru

DETAILS

Sigma Aldrich - 716790

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