| CAS Number | 2031261-00-2 |
| Catalog Number | AG01B7G1 |
| Chemical Name | 3-(Prop-2-enoyl)-1-(propan-2-yl)urea |
| IUPAC Name | N-(propan-2-ylcarbamoyl)prop-2-enamide |
| InChI | InChI=1S/C7H12N2O2/c1-4-6(10)9-7(11)8-5(2)3/h4-5H,1H2,2-3H3,(H2,8,9,10,11) |
| InChI Key | LOHFJHRFKQCDMP-UHFFFAOYSA-N |
| MDL Number | MFCD30344760 |
| Molecular Formula | C7H12N2O2 |
| Molecular Weight | 156.1824 |
| SMILES | C=CC(NC(NC(C)C)=O)=O |
| Synonyms | 3-(prop-2-enoyl)-1-(propan-2-yl)urea,
2031261-00-2,
AKOS033935100,
ZINC521396815,
Z2517218955,
|
| Complexity | 175 |
| 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 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.185g/mol |
| Monoisotopic Mass | 156.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number