| CAS Number | 1156147-59-9 |
| Catalog Number | AG019KSE |
| Chemical Name | 1-(4-Aminophenyl)-3-(oxolan-2-ylmethyl)urea |
| IUPAC Name | 1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea |
| InChI | InChI=1S/C12H17N3O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h3-6,11H,1-2,7-8,13H2,(H2,14,15,16) |
| InChI Key | PBXAKOQQFUMWLR-UHFFFAOYSA-N |
| MDL Number | MFCD12412719 |
| Molecular Formula | C12H17N3O2 |
| Molecular Weight | 235.2823 |
| SMILES | NC1=CC=C(NC(NCC2OCCC2)=O)C=C1 |
| Synonyms | 1-(4-aminophenyl)-3-(oxolan-2-ylmethyl)urea,
1156147-59-9,
AC1Q5233,
AKOS005828456,
MCULE-6005119659,
NE19050,
EN300-28230,
1-(4-aminophenyl)-3-[(oxolan-2-yl)methyl]urea,
Z839028608,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.287g/mol |
| Monoisotopic Mass | 235.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number