| CAS Number | 51838-01-8 |
| Catalog Number | AG00DRFI(AGN-PC-0LDQ0R) |
| Chemical Name | 2-Cyano-N-isobutylacetamide |
| IUPAC Name | 2-cyano-N-(2-methylpropyl)acetamide |
| InChI | InChI=1S/C7H12N2O/c1-6(2)5-9-7(10)3-4-8/h6H,3,5H2,1-2H3,(H,9,10) |
| InChI Key | YCGSMOIWEZRTSG-UHFFFAOYSA-N |
| MDL Number | MFCD03362173 |
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.1830 |
| SMILES | CC(CNC(CC#N)=O)C |
| Synonyms | 2-cyano-N-isobutylacetamide,
51838-01-8,
2-cyano-N-(2-methylpropyl)acetamide,
Acetamide, 2-cyano-N-(2-methylpropyl)-,
2-Cyano-N-isobutyl-acetamide,
N-isobutyl cyanoacetamide,
AC1NE4WX,
AC1Q1POD,
N-Isobutyl-2-cyanoacetamide,
SCHEMBL615361,
CTK1G8319,
DTXSID90404573,
YCGSMOIWEZRTSG-UHFFFAOYSA-N,
ZINC5907808,
AKOS000202503,
MCULE-8577840237,
NE46711,
EN300-24252,
ZINC05907808,
CID4586567,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.186g/mol |
| Monoisotopic Mass | 140.095g/mol |
| Rotatable Bond Count | 3 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number