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N,N-Dimethylacetamide-d9 - 99 atom % D, high purity , CAS No.116057-81-9
Basic Description
Synonyms
DTXSID80628367 | HY-W042416S | N,N-Bis[(~2~H_3_)methyl](~2~H_3_)acetamide | MFCD00066061 | AN,N-Dimethylacetamide-D9 | N,N-Dimethylacetamide-d9, 99 atom % D | 2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide | N,N-Dimethylacetamide-d9 | J-003378
Specifications & Purity
≥99 atom% D
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
N,N-Dimethylacetamide-d9 (DMA-d9) is a deuterated analog of N, N-dimethylacetamide. It has an isotopic purity of 99 atom % D. It is a standard purity solvent suitable for routine NMR analyses.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
Tertiary carboxylic acid amides
Alternative Parents
Acetamides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acetamide - Tertiary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide
INCHI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1D3,2D3,3D3
InChIKey
FXHOOIRPVKKKFG-GQALSZNTSA-N
Smiles
O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
Isomeric SMILES
[2H]C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
WGK Germany
3
Alternate CAS
16727-10-9；127-19-5（unlabled）
Molecular Weight
96.18
Reaxy-Rn
1737614
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737614&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Miscible with water.
Sensitivity
Hygroscopic & light sensitive
Refractive Index
1.438
Flash Point(°F)
70°C(158°F)
Flash Point(°C)
70°C(158°F)
Boil Point(°C)
165°C
Melt Point(°C)
-20°C
Molecular Weight
96.180 g/mol
XLogP3
-0.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
96.1249 Da
Monoisotopic Mass
96.1249 Da
Topological Polar Surface Area
20.300 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
58.600
Isotope Atom Count
9
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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