| CAS Number | 1154873-08-1 |
| Catalog Number | AG019KSF |
| Chemical Name | 1-(4-aminophenyl)-3-[(furan-2-yl)methyl]urea |
| IUPAC Name | 1-(4-aminophenyl)-3-(furan-2-ylmethyl)urea |
| InChI | InChI=1S/C12H13N3O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8,13H2,(H2,14,15,16) |
| InChI Key | ZYEOOUADZDVQBM-UHFFFAOYSA-N |
| MDL Number | MFCD12528917 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | NC1=CC=C(NC(NCC2OC=CC=2)=O)C=C1 |
| Synonyms | 1-(4-aminophenyl)-3-(furan-2-ylmethyl)urea,
1154873-08-1,
CTK7G5811,
AC1Q5232,
ZINC35186161,
AKOS005828457,
MCULE-2395234470,
NE23915,
EN300-28231,
1-(4-aminophenyl)-3-[(furan-2-yl)methyl]urea,
Z839028496,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number