| CAS Number | 1260807-62-2 |
| Catalog Number | AG01EH94 |
| Chemical Name | 1-(2-Methyl-4-nitrophenyl)piperidin-3-ol |
| IUPAC Name | 1-(2-methyl-4-nitrophenyl)piperidin-3-ol |
| InChI | InChI=1S/C12H16N2O3/c1-9-7-10(14(16)17)4-5-12(9)13-6-2-3-11(15)8-13/h4-5,7,11,15H,2-3,6,8H2,1H3 |
| InChI Key | FKVCIHPSYXPYPU-UHFFFAOYSA-N |
| MDL Number | MFCD11039627 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | OC1CCCN(C1)c1ccc(cc1C)[N+](=O)[O-] |
| Synonyms | 1-(2-methyl-4-nitrophenyl)piperidin-3-ol,
1260807-62-2,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.27g/mol |
| Monoisotopic Mass | 236.116092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number