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2- ((Dimethylamino) methyl) cyclohexanone-d6

CAT: 0804-HY-W699022-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W699022-02Size:500 mg
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Description
2- ((Dimethylamino) methyl) cyclohexanone-d6 (Tramadol Impurity E-d6 (Y0000157) ) is the deuterium labeled 2- ((Dimethylamino) methyl) cyclohexanone.
CAS Number
873928-71-3
Product Name Alternative
Tramadol Impurity E-d6 (Y0000157)
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=C1CCCCC1CN(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C9H11D6NO
Molecular Weight
161.27
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-(Bismethyl)aminomethylcyclohexanone-d6
CAS Number873928-71-3
PubChem CID45038380
IUPAC Name2-[[bis(trideuteriomethyl)amino]methyl]cyclohexan-1-one
Molecular FormulaC9H17NO
Molecular Weight161.27
XLogP1
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity142
SMILES
[2H]C([2H])([2H])N(CC1CCCCC1=O)C([2H])([2H])[2H]
InChI
InChI=1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8H,3-7H2,1-2H3/i1D3,2D3
InChIKey
QDHLEFBSGUGHCL-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 2-(Bismethyl)aminomethylcyclohexanone-d6
CAS: 873928-71-3
CID: 45038380
Formula: C9H17NO
MW: 161.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.27
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass161.168674641
Monoisotopic Mass161.168674641
Topological Polar Surface Area20.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity142
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
273424-012-Dimethylamino methyl cyclohexanone
OR1006753-012- ((Dimethylamino) methyl) cyclohexanone
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4231913- (Dimethylamino) -2-methyl-1-propanol-d6
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TRC-D471307-10MG10-[3-(Dimethylamino)propyl]-9-methyl-acridinum-d6 Iodide
41159210-[3- (Dimethylamino) propyl]-9-methyl-acridinum-d6 Iodide
429852-014-[ (Dimethylamino) methyl]-1,2-dimethyl-1H-benzimidazol-5-ol-d6
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