| CAS Number | 879319-32-1 |
| Catalog Number | AG019PF4 |
| Chemical Name | 2-Chloro-n-[(isopropylamino)carbonyl]propanamide |
| IUPAC Name | 2-chloro-N-(propan-2-ylcarbamoyl)propanamide |
| InChI | InChI=1S/C7H13ClN2O2/c1-4(2)9-7(12)10-6(11)5(3)8/h4-5H,1-3H3,(H2,9,10,11,12) |
| InChI Key | ZLZPBBSTGJDCNW-UHFFFAOYSA-N |
| MDL Number | MFCD08261055 |
| Molecular Formula | C7H13ClN2O2 |
| Molecular Weight | 192.6433 |
| SMILES | CC(NC(NC(C(Cl)C)=O)=O)C |
| Synonyms | 3-(2-chloropropanoyl)-1-(propan-2-yl)urea,
879319-32-1,
2-chloro-N-[(isopropylamino)carbonyl]propanamide,
AC1Q1Q7V,
CTK6B0049,
MFCD08261055,
AKOS009075855,
MCULE-9969249538,
NE21611,
1-(2-Chloropropionyl)-3-isopropyl-urea,
NCGC00337381-01,
EN300-23409,
AB01329580-02,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.643g/mol |
| Monoisotopic Mass | 192.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number