| CAS Number | 195523-28-5 |
| Catalog Number | AG00I3E2 |
| Chemical Name | 1-Butyl-3-(4-ethoxyphenyl)urea |
| IUPAC Name | 1-butyl-3-(4-ethoxyphenyl)urea |
| InChI | InChI=1S/C13H20N2O2/c1-3-5-10-14-13(16)15-11-6-8-12(9-7-11)17-4-2/h6-9H,3-5,10H2,1-2H3,(H2,14,15,16) |
| InChI Key | GWTMARSMWOAXJH-UHFFFAOYSA-N |
| MDL Number | MFCD00090582 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | CCCCNC(=O)Nc1ccc(cc1)OCC |
| Synonyms | 1-butyl-3-(4-ethoxyphenyl)urea,
195523-28-5,
1-Butyl-3-(p-ethoxyphenyl)urea,
AC1LBOIT,
AC1Q2X3D,
CTK6E2805,
3-butyl-1-(4-ethoxyphenyl)urea,
GWTMARSMWOAXJH-UHFFFAOYSA-N,
ZINC2172421,
MFCD00090582,
n-Butyl-N'-(4-ethoxyphenyl)urea #,
AKOS024337905,
MCULE-2606701071,
CID586275,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number