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N,N-Dimethylacetamide-d9

CAT: 0572-TRC-D471158-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D471158-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16727-10-9
Hazard Statement
Harmful if swallowed
Smiles
[2H]C([2H])([2H])N(C(=O)C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C4D9NO
Molecular Weight
96.176
InChI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1D3,2D3,3D3
Additionnal Information
IUPAC name: 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N,N-Dimethylacetamide-d9

See also: Dimethylacetamide (annotation moved to); Hallucinogens (annotation moved to); N,N-Dimethylacetamid-d9 (annotation moved to).

CAS Number16727-10-9
PubChem CID22789542
IUPAC Name2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide
Molecular FormulaC4H9NO
Molecular Weight96.18
XLogP-0.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity58
SMILES
[2H]C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1D3,2D3,3D3
InChIKey
FXHOOIRPVKKKFG-GQALSZNTSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethylacetamide-d9
CAS: 16727-10-9
CID: 22789542
Formula: C4H9NO
MW: 96.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.18
XLogP3-0.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.124904624
Monoisotopic Mass96.124904624
Topological Polar Surface Area20.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity58.6
Isotope Atom Count9
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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