| CAS Number | 903558-70-3 |
| Catalog Number | AG01AKTS |
| Chemical Name | 1-[3-(Aminomethyl)phenyl]-3,3-dimethylurea hydrochloride |
| IUPAC Name | 3-[3-(aminomethyl)phenyl]-1,1-dimethylurea;hydrochloride |
| InChI | InChI=1S/C10H15N3O.ClH/c1-13(2)10(14)12-9-5-3-4-8(6-9)7-11;/h3-6H,7,11H2,1-2H3,(H,12,14);1H |
| InChI Key | BWQAUKMFXJMRLA-UHFFFAOYSA-N |
| MDL Number | MFCD20233588 |
| Molecular Formula | C10H16ClN3O |
| Molecular Weight | 229.7065 |
| SMILES | Cl.CN(C(NC1=CC(CN)=CC=C1)=O)C |
| Synonyms | 1-[3-(aminomethyl)phenyl]-3,3-dimethylurea hydrochloride,
903558-70-3,
MCULE-8566355077,
NE16577,
EN300-85240,
Z1259162047,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.708g/mol |
| Monoisotopic Mass | 229.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number