| CAS Number | 1170061-54-7 |
| Catalog Number | AG019LG0 |
| Chemical Name | 1-phenyl-3-[(piperidin-2-yl)methyl]urea hydrochloride |
| IUPAC Name | 1-phenyl-3-(piperidin-2-ylmethyl)urea;hydrochloride |
| InChI | InChI=1S/C13H19N3O.ClH/c17-13(16-11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12;/h1-3,6-7,12,14H,4-5,8-10H2,(H2,15,16,17);1H |
| InChI Key | DDDTXJDAVZEIEQ-UHFFFAOYSA-N |
| MDL Number | MFCD09971404 |
| Molecular Formula | C13H20ClN3O |
| Molecular Weight | 269.7704 |
| SMILES | Cl.O=C(NC1=CC=CC=C1)NCC1NCCCC1 |
| Synonyms | 1170061-54-7,
1-phenyl-3-(piperidin-2-ylmethyl)urea hydrochloride,
N-phenyl-N'-(piperidin-2-ylmethyl)urea hydrochloride,
AC1Q3E50,
CTK7G7510,
NE14708,
EN300-31138,
1-phenyl-3-[(piperidin-2-yl)methyl]urea hydrochloride,
Z324553026,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.773g/mol |
| Monoisotopic Mass | 269.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number