| CAS Number | 1177345-22-0 |
| Catalog Number | AG0098IQ(AGN-PC-05BI2Y) |
| Chemical Name | 1-(4-Aminophenyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(4-aminophenyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C12H16N2O2/c13-10-3-5-11(6-4-10)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8,13H2,(H,15,16) |
| InChI Key | RHFGGTHQZGSMPS-UHFFFAOYSA-N |
| MDL Number | MFCD09864214 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | N1(CCCC(C(O)=O)C1)C1=CC=C(C=C1)N |
| Synonyms | 1-(4-Aminophenyl)piperidine-3-carboxylic acid,
1177345-22-0,
1-(4-aminophenyl)-3-piperidinecarboxylic acid,
CTK8C4222,
DTXSID80672365,
ZX-CM002086,
2891AA,
ANW-71290,
MFCD09864214,
AKOS016007984,
AX8238672,
TC-160035,
Y-5650,
1-(4-aminophenyl)-3-piperidinecarboxylic acid, AldrichCPR,
C12H16N2O2,
1-(4-Aminophenyl)piperidine-3-carboxylicacid,
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| Complexity | 249 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number