| CAS Number | 1247579-66-3 |
| Catalog Number | AG01BFLD |
| Chemical Name | 1-(3-aminophenyl)-1-methylurea |
| IUPAC Name | 1-(3-aminophenyl)-1-methylurea |
| InChI | InChI=1S/C8H11N3O/c1-11(8(10)12)7-4-2-3-6(9)5-7/h2-5H,9H2,1H3,(H2,10,12) |
| InChI Key | BDJRCQFJPAZFIC-UHFFFAOYSA-N |
| MDL Number | MFCD14617411 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | CN(C1=CC(N)=CC=C1)C(N)=O |
| Synonyms | 1-(3-aminophenyl)-1-methylurea,
1247579-66-3,
SCHEMBL8884787,
ZINC41022564,
AKOS010551222,
NE44451,
Z1889997428,
|
| Complexity | 172 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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