N-Methylprop-2-ynamide - CAS 2682-32-8
Catalog: |
BB076377 |
Product Name: |
N-Methylprop-2-ynamide |
CAS: |
2682-32-8 |
Synonyms: |
N-Methyl-2-propynamide; N-Methylpropiolamide; N-Methyl-propiolamide |
IUPAC Name: | N-methylprop-2-ynamide |
Description: | N-Methylprop-2-ynamide is used as a reactant in the preparation of difluoromethylpyrazoles via cycloadditon of alkynes with in situ generated difluoromethyl diazomethane. |
Molecular Weight: | 83.08 |
Molecular Formula: | C4H5NO |
Canonical SMILES: | CNC(=O)C#C |
InChI: | InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6) |
InChI Key: | WBVNBTCOCIGBDL-UHFFFAOYSA-N |
References: | Mykhailiuk, P., et al. Angew. Chem., 54, 6558 (2015). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 97.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 83.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 83.037113783 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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