| CAS Number | 879318-96-4 |
| Catalog Number | AG019PF3 |
| Chemical Name | N-[(tert-Butylamino)carbonyl]-2-chloropropanamide |
| IUPAC Name | N-(tert-butylcarbamoyl)-2-chloropropanamide |
| InChI | InChI=1S/C8H15ClN2O2/c1-5(9)6(12)10-7(13)11-8(2,3)4/h5H,1-4H3,(H2,10,11,12,13) |
| InChI Key | RTIAQJPBFOSSDR-UHFFFAOYSA-N |
| MDL Number | MFCD08261037 |
| Molecular Formula | C8H15ClN2O2 |
| Molecular Weight | 206.6699 |
| SMILES | CC(C(NC(NC(C)(C)C)=O)=O)Cl |
| Synonyms | 3-tert-butyl-1-(2-chloropropanoyl)urea,
879318-96-4,
N-[(tert-butylamino)carbonyl]-2-chloropropanamide,
AC1Q2AU5,
CTK7G4051,
MFCD08261037,
AKOS009075854,
MCULE-7343256860,
NE25554,
1-tert-Butyl-3-(2-chloropropionyl)urea,
NCGC00335373-01,
EN300-23407,
AB01328453-02,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.67g/mol |
| Monoisotopic Mass | 206.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number