| CAS Number | 2126160-67-4 |
| Catalog Number | AG01E7N4 |
| Chemical Name | 3-Methyl-1-(piperidin-3-yl)urea dihydrochloride |
| IUPAC Name | 1-methyl-3-piperidin-3-ylurea;dihydrochloride |
| InChI | InChI=1S/C7H15N3O.2ClH/c1-8-7(11)10-6-3-2-4-9-5-6;;/h6,9H,2-5H2,1H3,(H2,8,10,11);2*1H |
| InChI Key | XBEVTCSYRHOFTA-UHFFFAOYSA-N |
| MDL Number | MFCD11121733 |
| Molecular Formula | C7H17Cl2N3O |
| Molecular Weight | 230.1354 |
| SMILES | Cl.Cl.CNC(NC1CNCCC1)=O |
| Synonyms | 3-Methyl-1-(piperidin-3-yl)urea dihydrochloride,
2126160-67-4,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.133g/mol |
| Monoisotopic Mass | 229.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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