| CAS Number | 164648-47-9 |
| Catalog Number | AG01BHAC(AGN-PC-024TND) |
| Chemical Name | 3-(4-(Aminomethyl)phenyl)-1,1-dimethylurea |
| IUPAC Name | 3-[4-(aminomethyl)phenyl]-1,1-dimethylurea |
| InChI | InChI=1S/C10H15N3O/c1-13(2)10(14)12-9-5-3-8(7-11)4-6-9/h3-6H,7,11H2,1-2H3,(H,12,14) |
| InChI Key | FRFADSRZLRVIDV-UHFFFAOYSA-N |
| MDL Number | MFCD11132968 |
| Molecular Formula | C10H15N3O |
| Molecular Weight | 193.2456 |
| SMILES | NCC1=CC=C(C=C1)NC(N(C)C)=O |
| Synonyms | 1-[4-(aminomethyl)phenyl]-3,3-dimethylurea,
164648-47-9,
3-(4-Aminomethyl-phenyl)-1,1-dimethyl-urea,
SCHEMBL8531301,
ZINC36720880,
SC-64615,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.25g/mol |
| Monoisotopic Mass | 193.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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