| CAS Number | 1174642-69-3 |
| Catalog Number | AG01ACVO |
| Chemical Name | 3,5-Diamino-N-(pyridin-3-ylmethyl)benzamide |
| IUPAC Name | 3,5-diamino-N-(pyridin-3-ylmethyl)benzamide |
| InChI | InChI=1S/C13H14N4O/c14-11-4-10(5-12(15)6-11)13(18)17-8-9-2-1-3-16-7-9/h1-7H,8,14-15H2,(H,17,18) |
| InChI Key | BVGLECMQARBFOT-UHFFFAOYSA-N |
| MDL Number | MFCD16364320 |
| Molecular Formula | C13H14N4O |
| Molecular Weight | 242.2765 |
| SMILES | NC1=CC(C(NCC2=CN=CC=C2)=O)=CC(N)=C1 |
| Synonyms | 3,5-diamino-N-(pyridin-3-ylmethyl)benzamide,
1174642-69-3,
SCHEMBL12330697,
ZINC40301991,
NE46305,
3,5-Diamino-N-(3-pyridylmethyl)benzamide,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.282g/mol |
| Monoisotopic Mass | 242.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number