| CAS Number | 39938-80-2 |
| Catalog Number | AG019KSI(AGN-PC-03BARX) |
| Chemical Name | 1-(3-aminophenyl)-3-methylurea |
| IUPAC Name | 1-(3-aminophenyl)-3-methylurea |
| InChI | InChI=1S/C8H11N3O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,9H2,1H3,(H2,10,11,12) |
| InChI Key | NJATWJUOMHPPHK-UHFFFAOYSA-N |
| MDL Number | MFCD11120140 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | CNC(NC1=CC(N)=CC=C1)=O |
| Synonyms | 1-(3-aminophenyl)-3-methylurea,
39938-80-2,
AC1Q40PD,
SCHEMBL8884791,
CTK6I4433,
NJATWJUOMHPPHK-UHFFFAOYSA-N,
1(3'-amino phenyl)3-methyl urea,
ZINC21014243,
AKOS008097084,
MCULE-4821093151,
NE23228,
EN300-28243,
Z812517064,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number