| CAS Number | 111087-13-9 |
| Catalog Number | AG0082WQ(AGN-PC-00OFQL) |
| Chemical Name | 1-(4-aminophenyl)-3-methylurea |
| IUPAC Name | 1-(4-aminophenyl)-3-methylurea |
| InChI | InChI=1S/C8H11N3O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H2,10,11,12) |
| InChI Key | PQRCDPOTCHWYAY-UHFFFAOYSA-N |
| MDL Number | MFCD11505361 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | CNC(NC1=CC=C(N)C=C1)=O |
| Synonyms | 111087-13-9,
1-(4-aminophenyl)-3-methylurea,
N-(4-aminophenyl)-N'-methylurea,
Urea, N-(4-aminophenyl)-N'-methyl-,
ACMC-20me07,
AC1Q40PR,
SCHEMBL7298885,
CTK0D4241,
DTXSID50552963,
ZINC32626858,
AKOS009127654,
MCULE-6151022947,
NE54680,
EN300-27790,
Z406679944,
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| Complexity | 152 |
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number