| CAS Number | 1016535-21-9 |
| Catalog Number | AG01A8IS |
| Chemical Name | 1-[(2-Aminophenyl)methyl]piperidine-3-carboxamide |
| IUPAC Name | 1-[(2-aminophenyl)methyl]piperidine-3-carboxamide |
| InChI | InChI=1S/C13H19N3O/c14-12-6-2-1-4-10(12)8-16-7-3-5-11(9-16)13(15)17/h1-2,4,6,11H,3,5,7-9,14H2,(H2,15,17) |
| InChI Key | SRIXXLIDYOTBPZ-UHFFFAOYSA-N |
| MDL Number | MFCD09813027 |
| Molecular Formula | C13H19N3O |
| Molecular Weight | 233.3095 |
| SMILES | NC(C1CN(CC2=C(N)C=CC=C2)CCC1)=O |
| Synonyms | 1-[(2-aminophenyl)methyl]piperidine-3-carboxamide,
1016535-21-9,
AC1Q4ZHV,
CTK7D2832,
AKOS000151427,
MCULE-7416326202,
NE45293,
EN300-61720,
Z1262250751,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.315g/mol |
| Monoisotopic Mass | 233.153g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number