| CAS Number | 70826-93-6 |
| Catalog Number | AG019L00 |
| Chemical Name | 1-(4-Aminophenyl)-3-(propan-2-yl)urea |
| IUPAC Name | 1-(4-aminophenyl)-3-propan-2-ylurea |
| InChI | InChI=1S/C10H15N3O/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,11H2,1-2H3,(H2,12,13,14) |
| InChI Key | QFCKYNDJEALQAV-UHFFFAOYSA-N |
| MDL Number | MFCD11167417 |
| Molecular Formula | C10H15N3O |
| Molecular Weight | 193.2456 |
| SMILES | CC(NC(NC1=CC=C(N)C=C1)=O)C |
| Synonyms | 1-(4-aminophenyl)-3-(propan-2-yl)urea,
70826-93-6,
1-(4-aminophenyl)-3-propan-2-ylurea,
AC1Q1Q8T,
SCHEMBL11913008,
ZINC20209047,
AKOS009147391,
MCULE-5078351958,
NE42022,
EN300-29215,
A1-11496,
Z1245635793,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.25g/mol |
| Monoisotopic Mass | 193.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number