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trans-1,2-Cyclohexanediamine Platinum Complex

CAT: 0572-TRC-C986068-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C986068-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87952-13-4
Hazard Statement
No Data Available
Smiles
CC(=O)[O-][Pt+2]1([NH2]C2CCCCC2[NH2]1)[OH-]
Molecular Formula
C8 H18 N2 O3 Pt
Molecular Weight
385.318
InChI
InChI=1S/C6H14N2.C2H4O2.H2O.Pt/c7-5-3-1-2-4-6(5)8;1-2(3)4;;/h5-6H,1-4,7-8H2;1H3,(H,3,4);1H2;/q;;;+2/p-2
Shipping Conditions
Room Temperature

Chemical Information

trans-1,2-Cyclohexanediamine Platinum Complex
CAS Number87952-13-4
PubChem CID169436837
IUPAC Namecyclohexane-1,2-diamine;platinum(4+);acetate;hydroxide
Molecular FormulaC8H18N2O3Pt+2
Molecular Weight385.32
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge2
Complexity137
SMILES
CC(=O)[O-].C1CCC(C(C1)N)N.[OH-].[Pt+4]
InChI
InChI=1S/C6H14N2.C2H4O2.H2O.Pt/c7-5-3-1-2-4-6(5)8;1-2(3)4;;/h5-6H,1-4,7-8H2;1H3,(H,3,4);1H2;/q;;;+4/p-2
InChIKey
LWOQXISPKYXNJS-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of trans-1,2-Cyclohexanediamine Platinum Complex
CAS: 87952-13-4
CID: 169436837
Formula: C8H18N2O3Pt+2
MW: 385.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass385.096537
Monoisotopic Mass385.096537
Topological Polar Surface Area93.2 Ų
Heavy Atom Count14
Formal Charge2
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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