| CAS Number | 1016509-83-3 |
| Catalog Number | AG01A9MQ |
| Chemical Name | 1-[(3-aminophenyl)methyl]piperidine-3-carboxamide |
| IUPAC Name | 1-[(3-aminophenyl)methyl]piperidine-3-carboxamide |
| InChI | InChI=1S/C13H19N3O/c14-12-5-1-3-10(7-12)8-16-6-2-4-11(9-16)13(15)17/h1,3,5,7,11H,2,4,6,8-9,14H2,(H2,15,17) |
| InChI Key | TXLDVMBIFUACDM-UHFFFAOYSA-N |
| MDL Number | MFCD09809240 |
| Molecular Formula | C13H19N3O |
| Molecular Weight | 233.3095 |
| SMILES | NC(C1CN(CC2=CC(N)=CC=C2)CCC1)=O |
| Synonyms | 1-[(3-aminophenyl)methyl]piperidine-3-carboxamide,
1016509-83-3,
AC1Q4ZHW,
CTK7D2830,
AKOS000152700,
MCULE-8775640240,
NE56954,
EN300-65551,
Z1263529786,
|
| 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