Molecule structure of Dichloro(4-methoxycarbonyl-o-phenylenediammine)platinum (II) (CAS NO.72595-99-4):
IUPAC Name: Methyl 3,4-diaminobenzoate; platinum(2+); dichloride
Molecular Weight: 432.1612 g/mol
Molecular Formula: C8H10Cl2N2O2Pt
Boiling Point: 376.9 °C at 760 mmHg
Flash Point: 224.6 °C
Enthalpy of Vaporization: 62.46 kJ/mol
Vapour Pressure: 7E-06 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Tautomer Count: 8
Exact Mass: 430.976707
MonoIsotopic Mass: 430.976707
Topological Polar Surface Area: 78.3
Heavy Atom Count: 15
Complexity: 172
Canonical SMILES: COC(=O)C1=CC(=C(C=C1)N)N.[Cl-].[Cl-].[Pt+2]
InChI: InChI=1S/C8H10N2O2.2ClH.Pt/c1-12-8(11)5-2-3-6(9)7(10)4-5;;;/h2-4H,9-10H2,1H3;2*1H;/q;;;+2/p-2
InChIKey of Dichloro(4-methoxycarbonyl-o-phenylenediammine)platinum (II) (CAS NO.72595-99-4): SDUBRDPJEIKXSF-UHFFFAOYSA-L
1. | mmo-sat 100 nmol/L | JMCMAR Journal of Medicinal Chemistry. 23 (1980),459. |
Mutation data reported. See also PLATINUM COMPOUNDS. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Dichloro(4-methoxycarbonyl-o-phenylenediammine)platinum (II) (CAS NO.72595-99-4) is also named as Platinum (II), dichloro(4-methoxycarbonyl-o-phenylenediammine)- .
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