| CAS Number | 953727-11-2 |
| Catalog Number | AG019UJ3 |
| Chemical Name | 3-Amino-n-(pyridin-2-ylmethyl)benzamide |
| IUPAC Name | 3-amino-N-(pyridin-2-ylmethyl)benzamide |
| InChI | InChI=1S/C13H13N3O/c14-11-5-3-4-10(8-11)13(17)16-9-12-6-1-2-7-15-12/h1-8H,9,14H2,(H,16,17) |
| InChI Key | ZFJSJMYRFIQJOT-UHFFFAOYSA-N |
| MDL Number | MFCD09734296 |
| Molecular Formula | C13H13N3O |
| Molecular Weight | 227.2618 |
| SMILES | NC1=CC(C(NCC2=NC=CC=C2)=O)=CC=C1 |
| Synonyms | 3-amino-N-(pyridin-2-ylmethyl)benzamide,
953727-11-2,
AC1Q51F2,
CTK7D8777,
ZINC20193034,
AKOS000144626,
MCULE-8868326742,
NE19643,
EN300-41834,
|
| Complexity | 257 |
| 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 | 1 |
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Certificate of Analysis
Lot Number