| CAS Number | 847477-50-3 |
| Catalog Number | AG019MKV |
| Chemical Name | 1-(4-Acetylphenyl)-3-cyclopropylurea |
| IUPAC Name | 1-(4-acetylphenyl)-3-cyclopropylurea |
| InChI | InChI=1S/C12H14N2O2/c1-8(15)9-2-4-10(5-3-9)13-12(16)14-11-6-7-11/h2-5,11H,6-7H2,1H3,(H2,13,14,16) |
| InChI Key | BPNJCCGZEFCFTF-UHFFFAOYSA-N |
| MDL Number | MFCD06117650 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CC(C1=CC=C(NC(NC2CC2)=O)C=C1)=O |
| Synonyms | 1-(4-acetylphenyl)-3-cyclopropylurea,
N-(4-acetylphenyl)-N'-cyclopropylurea,
847477-50-3,
AC1Q1JSS,
CTK7G5401,
STK466376,
ZINC16970248,
AKOS003334180,
MCULE-4258725202,
ST50837988,
EN300-36467,
[(4-acetylphenyl)amino]-N-cyclopropylcarboxamide,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number