cyclohexane-1,2-diamine; dichloroplatinum

• ChemBase ID: 148063
• Molecular Formular: C6H14Cl2N2Pt
• Molecular Mass: 380.17276
• Monoisotopic Mass: 379.01819482
• SMILES: C1CCC(C(C1)N)N.Cl[Pt]Cl
• Canonical SMILES: NC1CCCCC1N.Cl[Pt]Cl
• InChI: InChI=1S/C6H14N2.2ClH.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-6H,1-4,7-8H2;2*1H;/q;;;+2/p-2
• InChIKey: PNNCIXRVXCLADM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexane-1,2-diamine; dichloroplatinum
• IUPAC Traditional name: 1,2-cyclohexanediamine; platinum(II) chloride
• Synonyms: (1,2-Diaminocyclohexane)platinum(II) chloride; Dichloro(1,2-diaminocyclohexane)platinum(II); (1,2-二氨基环己烷)氯化铂(II); (1,2-二氨基环己烷)二氯化铂

Database IDs

• CAS Number: 52691-24-4
• MDL Number: MFCD00058826
• PubChem SID: 162242242; 24865237
• PubChem CID: 151689

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.8559394
• LogD (pH = 7.4): -2.7383268
• Log P: -0.007973737
• Molar Refractivity: 33.952 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280 °C (dec.)(lit.)

Safety Information

• RTECS: TP2275974
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-40
• Safety Statements: 22-36
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H351
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: [C6H10(NH2)2]PtCl2

DETAILS

Sigma Aldrich - 404322

Packaging
500 mg in glass bottle