| CAS Number | 1119-50-2 |
| Catalog Number | AG007V1T(AGN-PC-003ONR) |
| Chemical Name | N-(2-Cyanoethyl)acetamide |
| IUPAC Name | N-(2-cyanoethyl)acetamide |
| InChI | InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h2,4H2,1H3,(H,7,8) |
| InChI Key | BCCCXAYKRGNVFN-UHFFFAOYSA-N |
| MDL Number | MFCD00038550 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | CC(NCCC#N)=O |
| Synonyms | N-(2-cyanoethyl)acetamide,
1119-50-2,
Acetamide, N-(2-cyanoethyl)-,
N-acetyl-2-cyanoethylamine,
SCHEMBL48475,
CTK0D3082,
DTXSID20567988,
ZINC11691805,
AKOS009024603,
MCULE-1781318297,
NE29922,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number