| CAS Number | 7399-84-0 |
| Catalog Number | AG01AIIK(AGN-PC-0JOIZB) |
| Chemical Name | 3-hydroxy-N-(propan-2-yl)propanamide |
| IUPAC Name | 3-hydroxy-N-propan-2-ylpropanamide |
| InChI | InChI=1S/C6H13NO2/c1-5(2)7-6(9)3-4-8/h5,8H,3-4H2,1-2H3,(H,7,9) |
| InChI Key | GFIMYQPGBOREPO-UHFFFAOYSA-N |
| MDL Number | MFCD16827840 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| NSC Number | 58502 |
| SMILES | CC(NC(CCO)=O)C |
| Synonyms | 3-hydroxy-n-(propan-2-yl)propanamide,
7399-84-0,
3-hydroxy-N-propan-2-ylpropanamide,
NSC58502,
Propanamide, 3-hydroxy-N-(1-methylethyl)-,
AC1Q5L4A,
AC1L6H29,
SCHEMBL16488593,
DTXSID90288996,
ZINC1689103,
NSC-58502,
Propionamide, 3-hydroxy-N-isopropyl-,
AKOS011919062,
NE50111,
EN300-77943,
AR-1F3740,
CID245971,
98072-27-6,
|
| Complexity | 91.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.175g/mol |
| Monoisotopic Mass | 131.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number