| CAS Number | 953735-83-6 |
| Catalog Number | AG01A8Q4 |
| Chemical Name | 1-[(4-aminophenyl)methyl]piperidine-3-carboxamide |
| IUPAC Name | 1-[(4-aminophenyl)methyl]piperidine-3-carboxamide |
| InChI | InChI=1S/C13H19N3O/c14-12-5-3-10(4-6-12)8-16-7-1-2-11(9-16)13(15)17/h3-6,11H,1-2,7-9,14H2,(H2,15,17) |
| InChI Key | LTKSBKLJMOYVAC-UHFFFAOYSA-N |
| MDL Number | MFCD09729538 |
| Molecular Formula | C13H19N3O |
| Molecular Weight | 233.3095 |
| SMILES | NC(C1CN(CC2=CC=C(N)C=C2)CCC1)=O |
| Synonyms | 1-[(4-aminophenyl)methyl]piperidine-3-carboxamide,
EN300-62290,
953735-83-6,
AC1Q4ZHX,
CTK7D2828,
AKOS000138627,
MCULE-4066400703,
NE24950,
SEL10023324,
1-(4-AMINOBENZYL)PIPERIDINE-3-CARBOXAMIDE,
Z234897215,
1-[(4-Aminophenyl)methyl]piperidine-3-carboxamide, AldrichCPR,
|
| Complexity | 261 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number