| CAS Number | 41402-59-9 |
| Catalog Number | AG019Y79 |
| Chemical Name | 1-(3-Aminophenyl)-3-ethylurea |
| IUPAC Name | 1-(3-aminophenyl)-3-ethylurea |
| InChI | InChI=1S/C9H13N3O/c1-2-11-9(13)12-8-5-3-4-7(10)6-8/h3-6H,2,10H2,1H3,(H2,11,12,13) |
| InChI Key | AGUVEYUHJHEDAW-UHFFFAOYSA-N |
| MDL Number | MFCD11115880 |
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.2190 |
| SMILES | CCNC(NC1=CC(N)=CC=C1)=O |
| Synonyms | 1-(3-aminophenyl)-3-ethylurea,
41402-59-9,
AC1Q31DC,
SCHEMBL658380,
CTK6F2086,
3-(ethylaminocarbonylamino)aniline,
AGUVEYUHJHEDAW-UHFFFAOYSA-N,
ZINC19998827,
AKOS009224883,
MCULE-5476661687,
NE22682,
EN300-57277,
Z1262237194,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.223g/mol |
| Monoisotopic Mass | 179.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number