| CAS Number | 352651-56-0 |
| Catalog Number | AG00CLV8(AGN-PC-0WOI3Y) |
| Chemical Name | 1-(3-Methoxy-4-nitrophenyl)piperidine |
| IUPAC Name | 1-(3-methoxy-4-nitrophenyl)piperidine |
| InChI | InChI=1S/C12H16N2O3/c1-17-12-9-10(5-6-11(12)14(15)16)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3 |
| InChI Key | GPZHAQSTCCPYFC-UHFFFAOYSA-N |
| MDL Number | MFCD01471565 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | COc1cc(ccc1[N+](=O)[O-])N1CCCCC1 |
| Synonyms | 1-(3-methoxy-4-nitrophenyl)piperidine,
352651-56-0,
CBMicro_032567,
Cambridge id 5770798,
Oprea1_695477,
AC1MF848,
SCHEMBL2205195,
GPZHAQSTCCPYFC-UHFFFAOYSA-N,
ZINC5031108,
AKOS000442580,
MCULE-5287542787,
CJ-12407,
BIM-0032337.P001,
Piperidine,1-(3-methoxy-4-nitrophenyl)-,
V5434,
K-8001,
SR-01000219476,
SR-01000219476-1,
C12H16N2O3,
CID2867534,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.271g/mol |
| Monoisotopic Mass | 236.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number