| CAS Number | 554406-75-6 |
| Catalog Number | AG00DBFL(AGN-PC-0WR4GU) |
| Chemical Name | 2-cyano-N-(1-methoxypropan-2-yl)acetamide |
| IUPAC Name | 2-cyano-N-(1-methoxypropan-2-yl)acetamide |
| InChI | InChI=1S/C7H12N2O2/c1-6(5-11-2)9-7(10)3-4-8/h6H,3,5H2,1-2H3,(H,9,10) |
| InChI Key | ZBWKHRRVPJVXHC-UHFFFAOYSA-N |
| MDL Number | MFCD03969501 |
| Molecular Formula | C7H12N2O2 |
| Molecular Weight | 156.1824 |
| SMILES | O=C(NC(C)COC)CC#N |
| Synonyms | 2-Cyano-N-(2-methoxy-1-methyl-ethyl)-acetamide,
2-cyano-N-(1-methoxypropan-2-yl)acetamide,
554406-75-6,
AC1MON97,
AC1Q4FI5,
SCHEMBL6316632,
CTK7B2568,
MFCD03969501,
AKOS000202506,
AKOS016880181,
MCULE-5681131523,
NE33314,
EN300-05204,
J-509212,
ZINC03285329,
CID3371821,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.185g/mol |
| Monoisotopic Mass | 156.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number