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N,N-Diethylcyanoacetamide

CAT: 0572-TRC-D444140-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D444140-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26391-06-0
Synonyms
N,N-Diethyl-2-cyanoacetamide; 2-Cyano-N,N-diethylacetamid;
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Purity
>95% (GC)
Smiles
CCN(CC)C(=O)CC#N
Molecular Formula
C7H12N2O
Molecular Weight
140.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-cyano-N,N-diethylacetamide

N,N-diethylcyanoacetamide is a monocarboxylic acid amide and an aliphatic nitrile.

CAS Number26391-06-0
PubChem CID3854515
IUPAC Name2-cyano-N,N-diethylacetamide
Molecular FormulaC7H12N2O
Molecular Weight140.18
XLogP0.3
Topological Polar Surface Area44.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity152
SMILES
CCN(CC)C(=O)CC#N
InChI
InChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3
InChIKey
RYSHIRFTLKZVIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyano-N,N-diethylacetamide
CAS: 26391-06-0
CID: 3854515
Formula: C7H12N2O
MW: 140.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.18
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass140.094963011
Monoisotopic Mass140.094963011
Topological Polar Surface Area44.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity152
Isotope Atom Count0
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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