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1,3-Dimethyladamantane-d6

CAT: 1459-CS-T-53367Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-53367Size:1 Each
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Description
1,3-Dimethyladamantane-d6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Amantadine. The product is supplied by Clearsynth under CAT No. CS-T-53367. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1189501-17-4
Synonyms
1,3-Dimethyladamantane-d6
Molecular Formula
C 12 H 14 D 6
Molecular Weight
170.3
Additionnal Information
1,3-Dimethyladamantane-d6 is supplied with detailed characterization data compliant with regulatory guideline. 1,3-Dimethyladamantane-d6 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Amantadine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

1,3-Dimethyladamantane-d6
CAS Number1189501-17-4
PubChem CID45039065
IUPAC Name1,3-bis(trideuteriomethyl)adamantane
Molecular FormulaC12H20
Molecular Weight170.32
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity182
SMILES
[2H]C([2H])([2H])C12CC3CC(C1)CC(C3)(C2)C([2H])([2H])[2H]
InChI
InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3/i1D3,2D3
InChIKey
CWNOIUTVJRWADX-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dimethyladamantane-d6
CAS: 1189501-17-4
CID: 45039065
Formula: C12H20
MW: 170.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.32
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass170.194161114
Monoisotopic Mass170.194161114
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity182
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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