λ1-rhodium(1+) ion [2-(dimethylamino)ethyl]dimethylamine bis(cycloocta-1,5-diene) dichlororhodiumuide

• ChemBase ID: 136637
• Molecular Formular: C22H40Cl2N2Rh2
• Molecular Mass: 609.2834
• Monoisotopic Mass: 608.06786265
• SMILES: CN(CCN(C)C)C.C1C=CCCC=CC1.C1C=CCCC=CC1.Cl[Rh-]Cl.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.CN(CCN(C)C)C.Cl[Rh-]Cl.[Rh+]
• InChI: InChI=1S/2C8H12.C6H16N2.2ClH.2Rh/c2*1-2-4-6-8-7-5-3-1;1-7(2)5-6-8(3)4;;;;/h2*1-2,7-8H,3-6H2;5-6H2,1-4H3;2*1H;;/q;;;;;2*+1/p-2
• InChIKey: OLXDNJYVTHYWRC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion [2-(dimethylamino)ethyl]dimethylamine bis(cycloocta-1,5-diene) dichlororhodiumuide
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene) dichlororhodiumuide temed
• Synonyms: [Rh(TMEDA) (COD)]+[RhCl2(COD)]-; TMEDA (1,5-cyclooctadiene) rhodium(I)/dichloro(1,5-cyclooctadiene)rhodium(I) complex

Database IDs

• CAS Number: 108559-48-4
• MDL Number: MFCD20527200
• PubChem SID: 162230907
• PubChem CID: 71309960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.377547
• LogD (pH = 7.4): -1.7988784
• Log P: 0.208814
• Molar Refractivity: 38.0072 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 220-227 °C

Product Information

• Empirical Formula (Hill Notation): C22H40Cl2N2Rh2

DETAILS

Sigma Aldrich - 749826

包装
1 g in glass bottle
250 mg in glass bottle