| CAS Number | 59507-46-9 |
| Catalog Number | AG00IAKB(AGN-PC-0NI93R) |
| Chemical Name | 1-[(3-Nitrophenyl)methyl]piperidine |
| IUPAC Name | 1-[(3-nitrophenyl)methyl]piperidine |
| InChI | InChI=1S/C12H16N2O2/c15-14(16)12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,10H2 |
| InChI Key | LRYVKFIOQOXESJ-UHFFFAOYSA-N |
| MDL Number | MFCD27926048 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | [O-][N+](C1=CC(CN2CCCCC2)=CC=C1)=O |
| Synonyms | 1-[(3-Nitrophenyl)methyl]piperidine,
59507-46-9,
Piperidine, 1-[(3-nitrophenyl)methyl]-,
1-(3-nitrobenzyl)piperidine,
SCHEMBL922442,
1-(3-nitrobenzyl)-piperidine,
LRYVKFIOQOXESJ-UHFFFAOYSA-N,
ZINC39191702,
AKOS026673742,
1-(3-nitro-benzyl)-piperidine,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number