| CAS Number | 926218-29-3 |
| Catalog Number | AG01A8G3 |
| Chemical Name | N-[4-(aminomethyl)phenyl]pyridine-3-carboxamide |
| IUPAC Name | N-[4-(aminomethyl)phenyl]pyridine-3-carboxamide |
| InChI | InChI=1S/C13H13N3O/c14-8-10-3-5-12(6-4-10)16-13(17)11-2-1-7-15-9-11/h1-7,9H,8,14H2,(H,16,17) |
| InChI Key | ZIHQLBRCIDRRBM-UHFFFAOYSA-N |
| MDL Number | MFCD09047156 |
| Molecular Formula | C13H13N3O |
| Molecular Weight | 227.2618 |
| SMILES | NCC1=CC=C(NC(C2=CN=CC=C2)=O)C=C1 |
| Synonyms | N-[4-(aminomethyl)phenyl]pyridine-3-carboxamide,
926218-29-3,
AC1Q53Z5,
CTK7E4669,
ZINC20224348,
AKOS000131245,
MCULE-5374951102,
NE20241,
SC-64608,
EN300-61529,
N-(4-AMINOMETHYL-PHENYL)-NICOTINAMIDE,
N-[4-(AMINOMETHYL)PHENYL]NICOTINAMIDE,
3-Pyridinecarboxamide, N-[4-(aminomethyl)phenyl]-,
Z1262250898,
3-Pyridinecarboxamide, N-[4-(aminomethyl)phenyl],
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.267g/mol |
| Monoisotopic Mass | 227.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number