| CAS Number | 1803586-93-7 |
| Catalog Number | AG01BCWN |
| Chemical Name | 1-(4-aminophenyl)-3-[(4-methylphenyl)methyl]urea hydrochloride |
| IUPAC Name | 1-(4-aminophenyl)-3-[(4-methylphenyl)methyl]urea;hydrochloride |
| InChI | InChI=1S/C15H17N3O.ClH/c1-11-2-4-12(5-3-11)10-17-15(19)18-14-8-6-13(16)7-9-14;/h2-9H,10,16H2,1H3,(H2,17,18,19);1H |
| InChI Key | BJEIIGCTUCYZEY-UHFFFAOYSA-N |
| MDL Number | MFCD28012331 |
| Molecular Formula | C15H18ClN3O |
| Molecular Weight | 291.7759 |
| SMILES | Cl.CC1=CC=C(CNC(NC2=CC=C(N)C=C2)=O)C=C1 |
| Synonyms | 1-(4-aminophenyl)-3-[(4-methylphenyl)methyl]urea hydrochloride,
1803586-93-7,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.779g/mol |
| Monoisotopic Mass | 291.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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