bis(ethane-1,2-diamine) bis(iodoplatinumylium) dinitrate

• ChemBase ID: 141567
• Molecular Formular: C4H16I2N6O6Pt2
• Molecular Mass: 888.17138
• Monoisotopic Mass: 887.85166026
• SMILES: C(CN)N.C(CN)N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].I[Pt+].I[Pt+]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].NCCN.NCCN.[Pt+]I.[Pt+]I
• InChI: InChI=1S/2C2H8N2.2HI.2NO3.2Pt/c2*3-1-2-4;;;2*2-1(3)4;;/h2*1-4H2;2*1H;;;;/q;;;;2*-1;2*+2/p-2
• InChIKey: NRXMBGQJNZDBOD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(ethane-1,2-diamine) bis(iodoplatinumylium) dinitrate
• IUPAC Traditional name: bis(ethylenediamine) bis(iodoplatinumylium) dinitrate
• Synonyms: Bis(1,2-ethanediamine-N,N′)di-μ-iododiplatinum(II) dinitrate; Di-μ-iodobis(ethylenediamine)diplatinum(II) dinitrate; (Ethylenediamine)iodoplatinum(II) dimer dinitrate; 二硝酸二-μ-碘双(乙二胺)二铂(II); 二硝酸双(1,2-乙二胺-N,N′)二-μ-碘二铂(II); 二-μ-碘代二(乙二胺)硝酸二铂(II)

Database IDs

• CAS Number: 109998-76-7
• MDL Number: MFCD00058712
• PubChem SID: 162235801
• PubChem CID: 71310652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 268 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 96%
• Linear Formula: C4H16I2N4Pt2 · 2NO3

DETAILS

Sigma Aldrich - 700037

Packaging
1 g in glass bottle
250 mg in glass bottle