| CAS Number | 1038255-83-2 |
| Catalog Number | AG019MNL |
| Chemical Name | 1-(3-cyanophenyl)-3-(propan-2-yl)urea |
| IUPAC Name | 1-(3-cyanophenyl)-3-propan-2-ylurea |
| InChI | InChI=1S/C11H13N3O/c1-8(2)13-11(15)14-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H2,13,14,15) |
| InChI Key | GPMJJEPFKGJZOA-UHFFFAOYSA-N |
| MDL Number | MFCD11099418 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | CC(NC(NC1=CC(C#N)=CC=C1)=O)C |
| Synonyms | 1-(3-cyanophenyl)-3-(propan-2-yl)urea,
N-(3-cyanophenyl)-N'-isopropylurea,
1038255-83-2,
AC1Q1Q89,
SCHEMBL12890530,
CTK7C8550,
ZINC20209467,
AKOS009222275,
MCULE-7267472838,
NE36880,
EN300-36725,
Z371868644,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number